data_15249 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15249 _Entry.Title ; Sequence-Specific 1H, 13C and 15N Resonance Assignments of the Cyclic Nucleotide Binding Domain from a Cyclic Nucleotide-Gated Potassium Channel in Complex with cAMP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-05-15 _Entry.Accession_date 2007-05-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.78 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sven Schunke . . . 15249 2 Matthias Stoldt . . . 15249 3 Dieter Willbold . . . 15249 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15249 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 589 15249 '15N chemical shifts' 139 15249 '1H chemical shifts' 956 15249 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 4 . . 2009-12-11 2007-05-15 update BMRB 'add related entry' 15249 3 . . 2009-08-31 2007-05-15 update BMRB 'correct entry citation' 15249 2 . . 2008-01-30 2007-05-15 update BMRB 'complete entry citation' 15249 1 . . 2007-09-17 2007-05-15 original author 'original release' 15249 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16628 'Chemical shifts of MloK1_CNBD monomer' 15249 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15249 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636859 _Citation.Full_citation . _Citation.Title 'Resonance assignment of the cyclic nucleotide binding domain from a cyclic nucleotide-gated K(+) channel in complex with cAMP' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 179 _Citation.Page_last 181 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sven Schunke . . . 15249 1 2 Kerstin Novak . . . 15249 1 3 Matthias Stoldt . . . 15249 1 4 'U. Benjamin' Kaupp . . . 15249 1 5 Dieter Willbold . . . 15249 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cAMP 15249 1 'cyclic nucleotide binding domain' 15249 1 'ion channels' 15249 1 'NMR resonance assignment' 15249 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15249 _Assembly.ID 1 _Assembly.Name 'Cyclic Nucleotide Binding Domain (CNBD) in Complex with cAMP' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15297 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MLoti Cyclic nucleotide binding domain' 1 $MlotiCNBDc A . yes native no no . 'cyclic nucleotide binding domain' . 15249 1 2 cAMP 2 $CMP A . no native no yes . ligand . 15249 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Ion Channel gating' 15249 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MlotiCNBDc _Entity.Sf_category entity _Entity.Sf_framecode MlotiCNBDc _Entity.Entry_ID 15249 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MlotiCNBDc _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSQEVRRGDFVRNWQLVAAV PLFQKLGPAVLVEIVRALRA RTVPAGAVICRIGEPGDRMF FVVEGSVSVATPNPVELGPG AFFGEMALISGEPRSATVSA ATTVSLLSLHSADFQMLCSS SPEIAEIFRKTALERRGAAA SA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 216-355 represent the cAMP-binding domain of a cyclic nucleotide-gated potassium channel from the bacterium M. loti (residues 214-215 represent a non-native affinity tag). ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'M. loti CNBD (216-355)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14968.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16628 . MloK1_CNBD . . . . . 100.00 142 100.00 100.00 7.25e-94 . . . . 15249 1 2 no BMRB 18024 . "Cyclic nucleotide binding domain, subunit 1" . . . . . 100.00 142 100.00 100.00 7.25e-94 . . . . 15249 1 3 no PDB 1U12 . "M. Loti Cyclic Nucleotide Binding Domain Mutant" . . . . . 97.18 138 99.28 99.28 1.30e-89 . . . . 15249 1 4 no PDB 1VP6 . "M.Loti Ion Channel Cylic Nucleotide Binding Domain" . . . . . 97.18 138 100.00 100.00 1.18e-90 . . . . 15249 1 5 no PDB 2K0G . "Solution Structure Of A Bacterial Cyclic Nucleotide- Activated K+ Channel Binding Domain In Complex With Camp" . . . . . 100.00 142 100.00 100.00 7.25e-94 . . . . 15249 1 6 no PDB 2KXL . "Solution Structure Of A Bacterial Cyclic Nucleotide-Activated K+ Channel Binding Domain In The Unliganded State" . . . . . 100.00 142 100.00 100.00 7.25e-94 . . . . 15249 1 7 no PDB 2ZD9 . "Structure Of A Bacterial Cyclic-Nucleotide Regulated Ion Channel" . . . . . 98.59 355 100.00 100.00 2.85e-90 . . . . 15249 1 8 no PDB 3BEH . "Structure Of A Bacterial Cyclic Nucleotide Regulated Ion Channel" . . . . . 98.59 355 100.00 100.00 2.85e-90 . . . . 15249 1 9 no PDB 3CL1 . "M. Loti Cyclic-Nucleotide Binding Domain, Cyclic-Gmp Bound" . . . . . 98.59 140 100.00 100.00 2.03e-92 . . . . 15249 1 10 no PDB 3CLP . "M. Loti Cyclic-Nucleotide Binding Domain Mutant 2" . . . . . 98.59 140 99.29 99.29 1.33e-91 . . . . 15249 1 11 no PDB 3CO2 . "Mlotik1 Ion Channel Cyclic-Nucleotide Binding Domain Mutant" . . . . . 98.59 140 99.29 99.29 3.04e-91 . . . . 15249 1 12 no PDB 4CHV . "The Electron Crystallography Structure Of The Camp-bound Potassium Channel Mlok1" . . . . . 98.59 361 100.00 100.00 3.16e-90 . . . . 15249 1 13 no PDB 4CHW . "The Electron Crystallography Structure Of The Camp-free Potassium Channel Mlok1" . . . . . 98.59 361 100.00 100.00 3.16e-90 . . . . 15249 1 14 no PDB 4MUV . "M. Loti Cyclic-nucleotide Binding Domain Mutant Displaying Inverted Ligand Selectivity, Cyclic-gmp Bound" . . . . . 100.00 142 97.89 98.59 1.18e-91 . . . . 15249 1 15 no DBJ BAB50178 . "mll3241 [Mesorhizobium loti MAFF303099]" . . . . . 98.59 355 100.00 100.00 2.85e-90 . . . . 15249 1 16 no REF WP_010911524 . "Cyclic nucleotide-gated potassium channel mll3241 [Mesorhizobium loti]" . . . . . 98.59 355 100.00 100.00 2.85e-90 . . . . 15249 1 17 no REF WP_032931689 . "cation tolerance protein CutA [Mesorhizobium loti]" . . . . . 98.59 355 100.00 100.00 2.61e-90 . . . . 15249 1 18 no SP Q98GN8 . "RecName: Full=Cyclic nucleotide-gated potassium channel mll3241; AltName: Full=MlotiK1 channel" . . . . . 98.59 355 100.00 100.00 2.85e-90 . . . . 15249 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ion channel gating' 15249 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 214 GLY . 15249 1 2 215 SER . 15249 1 3 216 GLN . 15249 1 4 217 GLU . 15249 1 5 218 VAL . 15249 1 6 219 ARG . 15249 1 7 220 ARG . 15249 1 8 221 GLY . 15249 1 9 222 ASP . 15249 1 10 223 PHE . 15249 1 11 224 VAL . 15249 1 12 225 ARG . 15249 1 13 226 ASN . 15249 1 14 227 TRP . 15249 1 15 228 GLN . 15249 1 16 229 LEU . 15249 1 17 230 VAL . 15249 1 18 231 ALA . 15249 1 19 232 ALA . 15249 1 20 233 VAL . 15249 1 21 234 PRO . 15249 1 22 235 LEU . 15249 1 23 236 PHE . 15249 1 24 237 GLN . 15249 1 25 238 LYS . 15249 1 26 239 LEU . 15249 1 27 240 GLY . 15249 1 28 241 PRO . 15249 1 29 242 ALA . 15249 1 30 243 VAL . 15249 1 31 244 LEU . 15249 1 32 245 VAL . 15249 1 33 246 GLU . 15249 1 34 247 ILE . 15249 1 35 248 VAL . 15249 1 36 249 ARG . 15249 1 37 250 ALA . 15249 1 38 251 LEU . 15249 1 39 252 ARG . 15249 1 40 253 ALA . 15249 1 41 254 ARG . 15249 1 42 255 THR . 15249 1 43 256 VAL . 15249 1 44 257 PRO . 15249 1 45 258 ALA . 15249 1 46 259 GLY . 15249 1 47 260 ALA . 15249 1 48 261 VAL . 15249 1 49 262 ILE . 15249 1 50 263 CYS . 15249 1 51 264 ARG . 15249 1 52 265 ILE . 15249 1 53 266 GLY . 15249 1 54 267 GLU . 15249 1 55 268 PRO . 15249 1 56 269 GLY . 15249 1 57 270 ASP . 15249 1 58 271 ARG . 15249 1 59 272 MET . 15249 1 60 273 PHE . 15249 1 61 274 PHE . 15249 1 62 275 VAL . 15249 1 63 276 VAL . 15249 1 64 277 GLU . 15249 1 65 278 GLY . 15249 1 66 279 SER . 15249 1 67 280 VAL . 15249 1 68 281 SER . 15249 1 69 282 VAL . 15249 1 70 283 ALA . 15249 1 71 284 THR . 15249 1 72 285 PRO . 15249 1 73 286 ASN . 15249 1 74 287 PRO . 15249 1 75 288 VAL . 15249 1 76 289 GLU . 15249 1 77 290 LEU . 15249 1 78 291 GLY . 15249 1 79 292 PRO . 15249 1 80 293 GLY . 15249 1 81 294 ALA . 15249 1 82 295 PHE . 15249 1 83 296 PHE . 15249 1 84 297 GLY . 15249 1 85 298 GLU . 15249 1 86 299 MET . 15249 1 87 300 ALA . 15249 1 88 301 LEU . 15249 1 89 302 ILE . 15249 1 90 303 SER . 15249 1 91 304 GLY . 15249 1 92 305 GLU . 15249 1 93 306 PRO . 15249 1 94 307 ARG . 15249 1 95 308 SER . 15249 1 96 309 ALA . 15249 1 97 310 THR . 15249 1 98 311 VAL . 15249 1 99 312 SER . 15249 1 100 313 ALA . 15249 1 101 314 ALA . 15249 1 102 315 THR . 15249 1 103 316 THR . 15249 1 104 317 VAL . 15249 1 105 318 SER . 15249 1 106 319 LEU . 15249 1 107 320 LEU . 15249 1 108 321 SER . 15249 1 109 322 LEU . 15249 1 110 323 HIS . 15249 1 111 324 SER . 15249 1 112 325 ALA . 15249 1 113 326 ASP . 15249 1 114 327 PHE . 15249 1 115 328 GLN . 15249 1 116 329 MET . 15249 1 117 330 LEU . 15249 1 118 331 CYS . 15249 1 119 332 SER . 15249 1 120 333 SER . 15249 1 121 334 SER . 15249 1 122 335 PRO . 15249 1 123 336 GLU . 15249 1 124 337 ILE . 15249 1 125 338 ALA . 15249 1 126 339 GLU . 15249 1 127 340 ILE . 15249 1 128 341 PHE . 15249 1 129 342 ARG . 15249 1 130 343 LYS . 15249 1 131 344 THR . 15249 1 132 345 ALA . 15249 1 133 346 LEU . 15249 1 134 347 GLU . 15249 1 135 348 ARG . 15249 1 136 349 ARG . 15249 1 137 350 GLY . 15249 1 138 351 ALA . 15249 1 139 352 ALA . 15249 1 140 353 ALA . 15249 1 141 354 SER . 15249 1 142 355 ALA . 15249 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15249 1 . SER 2 2 15249 1 . GLN 3 3 15249 1 . GLU 4 4 15249 1 . VAL 5 5 15249 1 . ARG 6 6 15249 1 . ARG 7 7 15249 1 . GLY 8 8 15249 1 . ASP 9 9 15249 1 . PHE 10 10 15249 1 . VAL 11 11 15249 1 . ARG 12 12 15249 1 . ASN 13 13 15249 1 . TRP 14 14 15249 1 . GLN 15 15 15249 1 . LEU 16 16 15249 1 . VAL 17 17 15249 1 . ALA 18 18 15249 1 . ALA 19 19 15249 1 . VAL 20 20 15249 1 . PRO 21 21 15249 1 . LEU 22 22 15249 1 . PHE 23 23 15249 1 . GLN 24 24 15249 1 . LYS 25 25 15249 1 . LEU 26 26 15249 1 . GLY 27 27 15249 1 . PRO 28 28 15249 1 . ALA 29 29 15249 1 . VAL 30 30 15249 1 . LEU 31 31 15249 1 . VAL 32 32 15249 1 . GLU 33 33 15249 1 . ILE 34 34 15249 1 . VAL 35 35 15249 1 . ARG 36 36 15249 1 . ALA 37 37 15249 1 . LEU 38 38 15249 1 . ARG 39 39 15249 1 . ALA 40 40 15249 1 . ARG 41 41 15249 1 . THR 42 42 15249 1 . VAL 43 43 15249 1 . PRO 44 44 15249 1 . ALA 45 45 15249 1 . GLY 46 46 15249 1 . ALA 47 47 15249 1 . VAL 48 48 15249 1 . ILE 49 49 15249 1 . CYS 50 50 15249 1 . ARG 51 51 15249 1 . ILE 52 52 15249 1 . GLY 53 53 15249 1 . GLU 54 54 15249 1 . PRO 55 55 15249 1 . GLY 56 56 15249 1 . ASP 57 57 15249 1 . ARG 58 58 15249 1 . MET 59 59 15249 1 . PHE 60 60 15249 1 . PHE 61 61 15249 1 . VAL 62 62 15249 1 . VAL 63 63 15249 1 . GLU 64 64 15249 1 . GLY 65 65 15249 1 . SER 66 66 15249 1 . VAL 67 67 15249 1 . SER 68 68 15249 1 . VAL 69 69 15249 1 . ALA 70 70 15249 1 . THR 71 71 15249 1 . PRO 72 72 15249 1 . ASN 73 73 15249 1 . PRO 74 74 15249 1 . VAL 75 75 15249 1 . GLU 76 76 15249 1 . LEU 77 77 15249 1 . GLY 78 78 15249 1 . PRO 79 79 15249 1 . GLY 80 80 15249 1 . ALA 81 81 15249 1 . PHE 82 82 15249 1 . PHE 83 83 15249 1 . GLY 84 84 15249 1 . GLU 85 85 15249 1 . MET 86 86 15249 1 . ALA 87 87 15249 1 . LEU 88 88 15249 1 . ILE 89 89 15249 1 . SER 90 90 15249 1 . GLY 91 91 15249 1 . GLU 92 92 15249 1 . PRO 93 93 15249 1 . ARG 94 94 15249 1 . SER 95 95 15249 1 . ALA 96 96 15249 1 . THR 97 97 15249 1 . VAL 98 98 15249 1 . SER 99 99 15249 1 . ALA 100 100 15249 1 . ALA 101 101 15249 1 . THR 102 102 15249 1 . THR 103 103 15249 1 . VAL 104 104 15249 1 . SER 105 105 15249 1 . LEU 106 106 15249 1 . LEU 107 107 15249 1 . SER 108 108 15249 1 . LEU 109 109 15249 1 . HIS 110 110 15249 1 . SER 111 111 15249 1 . ALA 112 112 15249 1 . ASP 113 113 15249 1 . PHE 114 114 15249 1 . GLN 115 115 15249 1 . MET 116 116 15249 1 . LEU 117 117 15249 1 . CYS 118 118 15249 1 . SER 119 119 15249 1 . SER 120 120 15249 1 . SER 121 121 15249 1 . PRO 122 122 15249 1 . GLU 123 123 15249 1 . ILE 124 124 15249 1 . ALA 125 125 15249 1 . GLU 126 126 15249 1 . ILE 127 127 15249 1 . PHE 128 128 15249 1 . ARG 129 129 15249 1 . LYS 130 130 15249 1 . THR 131 131 15249 1 . ALA 132 132 15249 1 . LEU 133 133 15249 1 . GLU 134 134 15249 1 . ARG 135 135 15249 1 . ARG 136 136 15249 1 . GLY 137 137 15249 1 . ALA 138 138 15249 1 . ALA 139 139 15249 1 . ALA 140 140 15249 1 . SER 141 141 15249 1 . ALA 142 142 15249 1 stop_ save_ save_CMP _Entity.Sf_category entity _Entity.Sf_framecode CMP _Entity.Entry_ID 15249 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CMP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CMP _Entity.Nonpolymer_comp_label $chem_comp_CMP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CMP . 15249 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15249 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MlotiCNBDc . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3)pLysE . . . . . . . . . . . . . . . . . . . . 15249 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 15249 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MlotiCNBDc . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pGEX-2T . . . . . . 15249 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CMP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CMP _Chem_comp.Entry_ID 15249 _Chem_comp.ID CMP _Chem_comp.Provenance . _Chem_comp.Name ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CMP _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C10 H12 N5 O6 P' _Chem_comp.Formula_weight 329.206 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:10:56 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N SMILES OpenEye/OEToolkits 1.4.2 15249 CMP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15249 CMP InChI=1/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 INCHI InChi 1 15249 CMP Nc1ncnc2[n](cnc12)C3OC4COP(O)(=O)OC4C3O SMILES_CANONICAL CACTVS 2.87 15249 CMP Nc1ncnc2[n](cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O SMILES CACTVS 2.87 15249 CMP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (1R,4S,6S,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]nonan-7-ol 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15249 CMP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1' . C1' . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP C2 . C2 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15249 CMP C2' . C2' . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP C3' . C3' . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP C4 . C4 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15249 CMP C4' . C4' . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP C5 . C5 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15249 CMP C5' . C5' . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP C6 . C6 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15249 CMP C8 . C8 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15249 CMP H1' . H1' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP H2 . H2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP H2' . H2' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP H3' . H3' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP H4' . H4' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP H5'1 . H5'1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP H5'2 . H5'2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP H8 . H8 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP HN61 . HN61 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP HN62 . HN62 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP HO2' . HO2' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP HOP2 . HOP2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP N1 . N1 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15249 CMP N3 . N3 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15249 CMP N6 . N6 . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP N7 . N7 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15249 CMP N9 . N9 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15249 CMP O1P . O1P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP O2' . O2' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP O2P . O2P . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP O3' . O3' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP O4' . O4' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP O5' . O5' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP P . P . . P . R . 0 . . . . no no . . . . . . . . . . . . . . . 15249 CMP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB P O1P . . . . 15249 CMP 2 . SING P O2P . . . . 15249 CMP 3 . SING P O5' . . . . 15249 CMP 4 . SING P O3' . . . . 15249 CMP 5 . SING O2P HOP2 . . . . 15249 CMP 6 . SING O5' C5' . . . . 15249 CMP 7 . SING C5' C4' . . . . 15249 CMP 8 . SING C5' H5'1 . . . . 15249 CMP 9 . SING C5' H5'2 . . . . 15249 CMP 10 . SING C4' O4' . . . . 15249 CMP 11 . SING C4' C3' . . . . 15249 CMP 12 . SING C4' H4' . . . . 15249 CMP 13 . SING O4' C1' . . . . 15249 CMP 14 . SING C3' O3' . . . . 15249 CMP 15 . SING C3' C2' . . . . 15249 CMP 16 . SING C3' H3' . . . . 15249 CMP 17 . SING C2' O2' . . . . 15249 CMP 18 . SING C2' C1' . . . . 15249 CMP 19 . SING C2' H2' . . . . 15249 CMP 20 . SING O2' HO2' . . . . 15249 CMP 21 . SING C1' N9 . . . . 15249 CMP 22 . SING C1' H1' . . . . 15249 CMP 23 . SING N9 C8 . . . . 15249 CMP 24 . SING N9 C4 . . . . 15249 CMP 25 . DOUB C8 N7 . . . . 15249 CMP 26 . SING C8 H8 . . . . 15249 CMP 27 . SING N7 C5 . . . . 15249 CMP 28 . SING C5 C6 . . . . 15249 CMP 29 . DOUB C5 C4 . . . . 15249 CMP 30 . SING C6 N6 . . . . 15249 CMP 31 . DOUB C6 N1 . . . . 15249 CMP 32 . SING N6 HN61 . . . . 15249 CMP 33 . SING N6 HN62 . . . . 15249 CMP 34 . SING N1 C2 . . . . 15249 CMP 35 . DOUB C2 N3 . . . . 15249 CMP 36 . SING C2 H2 . . . . 15249 CMP 37 . SING N3 C4 . . . . 15249 CMP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15249 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MlotiCNBDc '[U-13C; U-15N]' . . 1 $MlotiCNBDc . . 0.5 . . mM . . . . 15249 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15249 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15249 1 4 cAMP 'natural abundance' . . 2 $CMP . . 0.5 . . mM . . . . 15249 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% v/v' . . . . 15249 1 6 D2O [U-2H] . . . . . . 5 . . '% v/v' . . . . 15249 1 7 H2O 'natural abundance' . . . . . . 95 . . '% v/v' . . . . 15249 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15249 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 15249 1 pressure 1 . atm 15249 1 temperature 298 . K 15249 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15249 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15249 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15249 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15249 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity_INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15249 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Unity_INOVA . 800 . . . 15249 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15249 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15249 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15249 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15249 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15249 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15249 1 6 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15249 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15249 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15249 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15249 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15249 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15249 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15249 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15249 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15249 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15249 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15249 1 2 '2D 1H-13C HSQC' . . . 15249 1 4 '3D HNCO' . . . 15249 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.524 0.020 . 1 . . . . 1 GLY HA2 . 15249 1 2 . 1 1 1 1 GLY HA3 H 1 3.524 0.020 . 1 . . . . 1 GLY HA3 . 15249 1 3 . 1 1 1 1 GLY CA C 13 44.369 0.300 . 1 . . . . 1 GLY CA . 15249 1 4 . 1 1 2 2 SER HA H 1 4.466 0.020 . 1 . . . . 2 SER HA . 15249 1 5 . 1 1 2 2 SER HB2 H 1 3.880 0.020 . 2 . . . . 2 SER HB2 . 15249 1 6 . 1 1 2 2 SER HB3 H 1 3.846 0.020 . 2 . . . . 2 SER HB3 . 15249 1 7 . 1 1 2 2 SER C C 13 174.699 0.300 . 1 . . . . 2 SER C . 15249 1 8 . 1 1 2 2 SER CA C 13 58.600 0.300 . 1 . . . . 2 SER CA . 15249 1 9 . 1 1 2 2 SER CB C 13 63.856 0.300 . 1 . . . . 2 SER CB . 15249 1 10 . 1 1 3 3 GLN H H 1 8.608 0.020 . 1 . . . . 3 GLN H . 15249 1 11 . 1 1 3 3 GLN HA H 1 3.914 0.020 . 1 . . . . 3 GLN HA . 15249 1 12 . 1 1 3 3 GLN HE21 H 1 7.521 0.020 . 2 . . . . 3 GLN HE21 . 15249 1 13 . 1 1 3 3 GLN HE22 H 1 6.844 0.020 . 2 . . . . 3 GLN HE22 . 15249 1 14 . 1 1 3 3 GLN C C 13 175.923 0.300 . 1 . . . . 3 GLN C . 15249 1 15 . 1 1 3 3 GLN CA C 13 56.076 0.300 . 1 . . . . 3 GLN CA . 15249 1 16 . 1 1 3 3 GLN CB C 13 29.186 0.300 . 1 . . . . 3 GLN CB . 15249 1 17 . 1 1 3 3 GLN N N 15 122.119 0.300 . 1 . . . . 3 GLN N . 15249 1 18 . 1 1 3 3 GLN NE2 N 15 112.511 0.300 . 1 . . . . 3 GLN NE2 . 15249 1 19 . 1 1 4 4 GLU H H 1 8.391 0.020 . 1 . . . . 4 GLU H . 15249 1 20 . 1 1 4 4 GLU HA H 1 4.243 0.020 . 1 . . . . 4 GLU HA . 15249 1 21 . 1 1 4 4 GLU HB2 H 1 1.974 0.020 . 2 . . . . 4 GLU HB2 . 15249 1 22 . 1 1 4 4 GLU HB3 H 1 1.905 0.020 . 2 . . . . 4 GLU HB3 . 15249 1 23 . 1 1 4 4 GLU HG2 H 1 2.227 0.020 . 2 . . . . 4 GLU HG2 . 15249 1 24 . 1 1 4 4 GLU HG3 H 1 2.197 0.020 . 2 . . . . 4 GLU HG3 . 15249 1 25 . 1 1 4 4 GLU C C 13 176.564 0.300 . 1 . . . . 4 GLU C . 15249 1 26 . 1 1 4 4 GLU CA C 13 56.814 0.300 . 1 . . . . 4 GLU CA . 15249 1 27 . 1 1 4 4 GLU CB C 13 30.280 0.300 . 1 . . . . 4 GLU CB . 15249 1 28 . 1 1 4 4 GLU CG C 13 36.308 0.300 . 1 . . . . 4 GLU CG . 15249 1 29 . 1 1 4 4 GLU N N 15 122.393 0.300 . 1 . . . . 4 GLU N . 15249 1 30 . 1 1 5 5 VAL H H 1 8.188 0.020 . 1 . . . . 5 VAL H . 15249 1 31 . 1 1 5 5 VAL HA H 1 4.028 0.020 . 1 . . . . 5 VAL HA . 15249 1 32 . 1 1 5 5 VAL HB H 1 2.032 0.020 . 1 . . . . 5 VAL HB . 15249 1 33 . 1 1 5 5 VAL HG11 H 1 0.936 0.020 . 1 . . . . 5 VAL HG1 . 15249 1 34 . 1 1 5 5 VAL HG12 H 1 0.936 0.020 . 1 . . . . 5 VAL HG1 . 15249 1 35 . 1 1 5 5 VAL HG13 H 1 0.936 0.020 . 1 . . . . 5 VAL HG1 . 15249 1 36 . 1 1 5 5 VAL HG21 H 1 0.901 0.020 . 1 . . . . 5 VAL HG2 . 15249 1 37 . 1 1 5 5 VAL HG22 H 1 0.901 0.020 . 1 . . . . 5 VAL HG2 . 15249 1 38 . 1 1 5 5 VAL HG23 H 1 0.901 0.020 . 1 . . . . 5 VAL HG2 . 15249 1 39 . 1 1 5 5 VAL C C 13 176.229 0.300 . 1 . . . . 5 VAL C . 15249 1 40 . 1 1 5 5 VAL CA C 13 62.717 0.300 . 1 . . . . 5 VAL CA . 15249 1 41 . 1 1 5 5 VAL CB C 13 32.590 0.300 . 1 . . . . 5 VAL CB . 15249 1 42 . 1 1 5 5 VAL CG1 C 13 20.838 0.300 . 1 . . . . 5 VAL CG1 . 15249 1 43 . 1 1 5 5 VAL CG2 C 13 21.175 0.300 . 1 . . . . 5 VAL CG2 . 15249 1 44 . 1 1 5 5 VAL N N 15 122.262 0.300 . 1 . . . . 5 VAL N . 15249 1 45 . 1 1 6 6 ARG H H 1 8.446 0.020 . 1 . . . . 6 ARG H . 15249 1 46 . 1 1 6 6 ARG HA H 1 4.320 0.020 . 1 . . . . 6 ARG HA . 15249 1 47 . 1 1 6 6 ARG HB2 H 1 1.828 0.020 . 2 . . . . 6 ARG HB2 . 15249 1 48 . 1 1 6 6 ARG HB3 H 1 1.749 0.020 . 2 . . . . 6 ARG HB3 . 15249 1 49 . 1 1 6 6 ARG HD2 H 1 3.170 0.020 . 2 . . . . 6 ARG HD2 . 15249 1 50 . 1 1 6 6 ARG HD3 H 1 3.123 0.020 . 2 . . . . 6 ARG HD3 . 15249 1 51 . 1 1 6 6 ARG HG2 H 1 1.612 0.020 . 2 . . . . 6 ARG HG2 . 15249 1 52 . 1 1 6 6 ARG HG3 H 1 1.556 0.020 . 2 . . . . 6 ARG HG3 . 15249 1 53 . 1 1 6 6 ARG C C 13 176.478 0.300 . 1 . . . . 6 ARG C . 15249 1 54 . 1 1 6 6 ARG CA C 13 56.144 0.300 . 1 . . . . 6 ARG CA . 15249 1 55 . 1 1 6 6 ARG CB C 13 30.666 0.300 . 1 . . . . 6 ARG CB . 15249 1 56 . 1 1 6 6 ARG CD C 13 43.333 0.300 . 1 . . . . 6 ARG CD . 15249 1 57 . 1 1 6 6 ARG CG C 13 27.219 0.300 . 1 . . . . 6 ARG CG . 15249 1 58 . 1 1 6 6 ARG N N 15 124.940 0.300 . 1 . . . . 6 ARG N . 15249 1 59 . 1 1 7 7 ARG H H 1 8.441 0.020 . 1 . . . . 7 ARG H . 15249 1 60 . 1 1 7 7 ARG HA H 1 4.287 0.020 . 1 . . . . 7 ARG HA . 15249 1 61 . 1 1 7 7 ARG HB2 H 1 1.873 0.020 . 2 . . . . 7 ARG HB2 . 15249 1 62 . 1 1 7 7 ARG HB3 H 1 1.803 0.020 . 2 . . . . 7 ARG HB3 . 15249 1 63 . 1 1 7 7 ARG HD2 H 1 3.124 0.020 . 2 . . . . 7 ARG HD2 . 15249 1 64 . 1 1 7 7 ARG HD3 H 1 3.204 0.020 . 2 . . . . 7 ARG HD3 . 15249 1 65 . 1 1 7 7 ARG HG2 H 1 1.662 0.020 . 2 . . . . 7 ARG HG2 . 15249 1 66 . 1 1 7 7 ARG HG3 H 1 1.610 0.020 . 2 . . . . 7 ARG HG3 . 15249 1 67 . 1 1 7 7 ARG C C 13 177.122 0.300 . 1 . . . . 7 ARG C . 15249 1 68 . 1 1 7 7 ARG CA C 13 56.825 0.300 . 1 . . . . 7 ARG CA . 15249 1 69 . 1 1 7 7 ARG CB C 13 30.942 0.300 . 1 . . . . 7 ARG CB . 15249 1 70 . 1 1 7 7 ARG CD C 13 43.405 0.300 . 1 . . . . 7 ARG CD . 15249 1 71 . 1 1 7 7 ARG CG C 13 27.200 0.300 . 1 . . . . 7 ARG CG . 15249 1 72 . 1 1 7 7 ARG N N 15 122.775 0.300 . 1 . . . . 7 ARG N . 15249 1 73 . 1 1 8 8 GLY H H 1 8.518 0.020 . 1 . . . . 8 GLY H . 15249 1 74 . 1 1 8 8 GLY HA2 H 1 3.952 0.020 . 1 . . . . 8 GLY HA2 . 15249 1 75 . 1 1 8 8 GLY HA3 H 1 3.952 0.020 . 1 . . . . 8 GLY HA3 . 15249 1 76 . 1 1 8 8 GLY C C 13 174.415 0.300 . 1 . . . . 8 GLY C . 15249 1 77 . 1 1 8 8 GLY CA C 13 45.777 0.300 . 1 . . . . 8 GLY CA . 15249 1 78 . 1 1 8 8 GLY N N 15 109.192 0.300 . 1 . . . . 8 GLY N . 15249 1 79 . 1 1 9 9 ASP H H 1 8.193 0.020 . 1 . . . . 9 ASP H . 15249 1 80 . 1 1 9 9 ASP HA H 1 4.551 0.020 . 1 . . . . 9 ASP HA . 15249 1 81 . 1 1 9 9 ASP HB2 H 1 2.693 0.020 . 2 . . . . 9 ASP HB2 . 15249 1 82 . 1 1 9 9 ASP HB3 H 1 2.627 0.020 . 2 . . . . 9 ASP HB3 . 15249 1 83 . 1 1 9 9 ASP C C 13 180.399 0.300 . 1 . . . . 9 ASP C . 15249 1 84 . 1 1 9 9 ASP CA C 13 55.031 0.300 . 1 . . . . 9 ASP CA . 15249 1 85 . 1 1 9 9 ASP CB C 13 40.892 0.300 . 1 . . . . 9 ASP CB . 15249 1 86 . 1 1 9 9 ASP N N 15 120.806 0.300 . 1 . . . . 9 ASP N . 15249 1 87 . 1 1 10 10 PHE H H 1 8.151 0.020 . 1 . . . . 10 PHE H . 15249 1 88 . 1 1 10 10 PHE HA H 1 4.341 0.020 . 1 . . . . 10 PHE HA . 15249 1 89 . 1 1 10 10 PHE HB2 H 1 3.156 0.020 . 1 . . . . 10 PHE HB2 . 15249 1 90 . 1 1 10 10 PHE HB3 H 1 3.156 0.020 . 1 . . . . 10 PHE HB3 . 15249 1 91 . 1 1 10 10 PHE HD1 H 1 7.124 0.020 . 1 . . . . 10 PHE HD1 . 15249 1 92 . 1 1 10 10 PHE HD2 H 1 7.124 0.020 . 1 . . . . 10 PHE HD2 . 15249 1 93 . 1 1 10 10 PHE HE1 H 1 7.268 0.020 . 1 . . . . 10 PHE HE1 . 15249 1 94 . 1 1 10 10 PHE HE2 H 1 7.268 0.020 . 1 . . . . 10 PHE HE2 . 15249 1 95 . 1 1 10 10 PHE HZ H 1 7.170 0.020 . 1 . . . . 10 PHE HZ . 15249 1 96 . 1 1 10 10 PHE C C 13 176.243 0.300 . 1 . . . . 10 PHE C . 15249 1 97 . 1 1 10 10 PHE CA C 13 60.094 0.300 . 1 . . . . 10 PHE CA . 15249 1 98 . 1 1 10 10 PHE CB C 13 39.303 0.300 . 1 . . . . 10 PHE CB . 15249 1 99 . 1 1 10 10 PHE CD1 C 13 131.950 0.300 . 1 . . . . 10 PHE CD1 . 15249 1 100 . 1 1 10 10 PHE CD2 C 13 131.950 0.300 . 1 . . . . 10 PHE CD2 . 15249 1 101 . 1 1 10 10 PHE CE1 C 13 131.327 0.300 . 1 . . . . 10 PHE CE1 . 15249 1 102 . 1 1 10 10 PHE CE2 C 13 131.327 0.300 . 1 . . . . 10 PHE CE2 . 15249 1 103 . 1 1 10 10 PHE CZ C 13 129.644 0.300 . 1 . . . . 10 PHE CZ . 15249 1 104 . 1 1 10 10 PHE N N 15 120.795 0.300 . 1 . . . . 10 PHE N . 15249 1 105 . 1 1 11 11 VAL H H 1 7.904 0.020 . 1 . . . . 11 VAL H . 15249 1 106 . 1 1 11 11 VAL HA H 1 3.711 0.020 . 1 . . . . 11 VAL HA . 15249 1 107 . 1 1 11 11 VAL HB H 1 2.080 0.020 . 1 . . . . 11 VAL HB . 15249 1 108 . 1 1 11 11 VAL HG11 H 1 1.026 0.020 . 1 . . . . 11 VAL HG1 . 15249 1 109 . 1 1 11 11 VAL HG12 H 1 1.026 0.020 . 1 . . . . 11 VAL HG1 . 15249 1 110 . 1 1 11 11 VAL HG13 H 1 1.026 0.020 . 1 . . . . 11 VAL HG1 . 15249 1 111 . 1 1 11 11 VAL HG21 H 1 0.927 0.020 . 1 . . . . 11 VAL HG2 . 15249 1 112 . 1 1 11 11 VAL HG22 H 1 0.927 0.020 . 1 . . . . 11 VAL HG2 . 15249 1 113 . 1 1 11 11 VAL HG23 H 1 0.927 0.020 . 1 . . . . 11 VAL HG2 . 15249 1 114 . 1 1 11 11 VAL C C 13 177.859 0.300 . 1 . . . . 11 VAL C . 15249 1 115 . 1 1 11 11 VAL CA C 13 65.861 0.300 . 1 . . . . 11 VAL CA . 15249 1 116 . 1 1 11 11 VAL CB C 13 31.888 0.300 . 1 . . . . 11 VAL CB . 15249 1 117 . 1 1 11 11 VAL CG1 C 13 22.341 0.300 . 1 . . . . 11 VAL CG1 . 15249 1 118 . 1 1 11 11 VAL CG2 C 13 21.153 0.300 . 1 . . . . 11 VAL CG2 . 15249 1 119 . 1 1 11 11 VAL N N 15 118.658 0.300 . 1 . . . . 11 VAL N . 15249 1 120 . 1 1 12 12 ARG H H 1 7.967 0.020 . 1 . . . . 12 ARG H . 15249 1 121 . 1 1 12 12 ARG HA H 1 4.141 0.020 . 1 . . . . 12 ARG HA . 15249 1 122 . 1 1 12 12 ARG HB2 H 1 1.830 0.020 . 2 . . . . 12 ARG HB2 . 15249 1 123 . 1 1 12 12 ARG HB3 H 1 1.791 0.020 . 2 . . . . 12 ARG HB3 . 15249 1 124 . 1 1 12 12 ARG HD2 H 1 3.217 0.020 . 2 . . . . 12 ARG HD2 . 15249 1 125 . 1 1 12 12 ARG HD3 H 1 3.194 0.020 . 2 . . . . 12 ARG HD3 . 15249 1 126 . 1 1 12 12 ARG HG2 H 1 1.677 0.020 . 2 . . . . 12 ARG HG2 . 15249 1 127 . 1 1 12 12 ARG HG3 H 1 1.593 0.020 . 2 . . . . 12 ARG HG3 . 15249 1 128 . 1 1 12 12 ARG C C 13 178.115 0.300 . 1 . . . . 12 ARG C . 15249 1 129 . 1 1 12 12 ARG CA C 13 58.246 0.300 . 1 . . . . 12 ARG CA . 15249 1 130 . 1 1 12 12 ARG CB C 13 29.889 0.300 . 1 . . . . 12 ARG CB . 15249 1 131 . 1 1 12 12 ARG CD C 13 43.253 0.300 . 1 . . . . 12 ARG CD . 15249 1 132 . 1 1 12 12 ARG CG C 13 27.234 0.300 . 1 . . . . 12 ARG CG . 15249 1 133 . 1 1 12 12 ARG N N 15 120.747 0.300 . 1 . . . . 12 ARG N . 15249 1 134 . 1 1 13 13 ASN H H 1 8.289 0.020 . 1 . . . . 13 ASN H . 15249 1 135 . 1 1 13 13 ASN HA H 1 4.312 0.020 . 1 . . . . 13 ASN HA . 15249 1 136 . 1 1 13 13 ASN HB2 H 1 2.845 0.020 . 2 . . . . 13 ASN HB2 . 15249 1 137 . 1 1 13 13 ASN HB3 H 1 2.824 0.020 . 2 . . . . 13 ASN HB3 . 15249 1 138 . 1 1 13 13 ASN HD21 H 1 7.581 0.020 . 2 . . . . 13 ASN HD21 . 15249 1 139 . 1 1 13 13 ASN HD22 H 1 6.418 0.020 . 2 . . . . 13 ASN HD22 . 15249 1 140 . 1 1 13 13 ASN C C 13 175.667 0.300 . 1 . . . . 13 ASN C . 15249 1 141 . 1 1 13 13 ASN CA C 13 55.307 0.300 . 1 . . . . 13 ASN CA . 15249 1 142 . 1 1 13 13 ASN CB C 13 37.752 0.300 . 1 . . . . 13 ASN CB . 15249 1 143 . 1 1 13 13 ASN N N 15 118.750 0.300 . 1 . . . . 13 ASN N . 15249 1 144 . 1 1 13 13 ASN ND2 N 15 108.386 0.300 . 1 . . . . 13 ASN ND2 . 15249 1 145 . 1 1 14 14 TRP H H 1 8.284 0.020 . 1 . . . . 14 TRP H . 15249 1 146 . 1 1 14 14 TRP HA H 1 4.012 0.020 . 1 . . . . 14 TRP HA . 15249 1 147 . 1 1 14 14 TRP HB2 H 1 3.197 0.020 . 2 . . . . 14 TRP HB2 . 15249 1 148 . 1 1 14 14 TRP HB3 H 1 3.060 0.020 . 2 . . . . 14 TRP HB3 . 15249 1 149 . 1 1 14 14 TRP HD1 H 1 7.072 0.020 . 1 . . . . 14 TRP HD1 . 15249 1 150 . 1 1 14 14 TRP HE1 H 1 9.873 0.020 . 1 . . . . 14 TRP HE1 . 15249 1 151 . 1 1 14 14 TRP HE3 H 1 7.364 0.020 . 1 . . . . 14 TRP HE3 . 15249 1 152 . 1 1 14 14 TRP HH2 H 1 7.062 0.020 . 1 . . . . 14 TRP HH2 . 15249 1 153 . 1 1 14 14 TRP HZ2 H 1 7.359 0.020 . 1 . . . . 14 TRP HZ2 . 15249 1 154 . 1 1 14 14 TRP HZ3 H 1 6.919 0.020 . 1 . . . . 14 TRP HZ3 . 15249 1 155 . 1 1 14 14 TRP C C 13 177.859 0.300 . 1 . . . . 14 TRP C . 15249 1 156 . 1 1 14 14 TRP CA C 13 60.317 0.300 . 1 . . . . 14 TRP CA . 15249 1 157 . 1 1 14 14 TRP CB C 13 28.816 0.300 . 1 . . . . 14 TRP CB . 15249 1 158 . 1 1 14 14 TRP CD1 C 13 127.382 0.300 . 1 . . . . 14 TRP CD1 . 15249 1 159 . 1 1 14 14 TRP CE3 C 13 120.593 0.300 . 1 . . . . 14 TRP CE3 . 15249 1 160 . 1 1 14 14 TRP CH2 C 13 124.404 0.300 . 1 . . . . 14 TRP CH2 . 15249 1 161 . 1 1 14 14 TRP CZ2 C 13 114.496 0.300 . 1 . . . . 14 TRP CZ2 . 15249 1 162 . 1 1 14 14 TRP CZ3 C 13 121.444 0.300 . 1 . . . . 14 TRP CZ3 . 15249 1 163 . 1 1 14 14 TRP N N 15 120.229 0.300 . 1 . . . . 14 TRP N . 15249 1 164 . 1 1 14 14 TRP NE1 N 15 128.866 0.300 . 1 . . . . 14 TRP NE1 . 15249 1 165 . 1 1 15 15 GLN H H 1 7.941 0.020 . 1 . . . . 15 GLN H . 15249 1 166 . 1 1 15 15 GLN HA H 1 3.990 0.020 . 1 . . . . 15 GLN HA . 15249 1 167 . 1 1 15 15 GLN HB2 H 1 2.206 0.020 . 2 . . . . 15 GLN HB2 . 15249 1 168 . 1 1 15 15 GLN HB3 H 1 2.089 0.020 . 2 . . . . 15 GLN HB3 . 15249 1 169 . 1 1 15 15 GLN HE21 H 1 7.420 0.020 . 2 . . . . 15 GLN HE21 . 15249 1 170 . 1 1 15 15 GLN HE22 H 1 6.811 0.020 . 2 . . . . 15 GLN HE22 . 15249 1 171 . 1 1 15 15 GLN HG2 H 1 2.471 0.020 . 2 . . . . 15 GLN HG2 . 15249 1 172 . 1 1 15 15 GLN HG3 H 1 2.353 0.020 . 2 . . . . 15 GLN HG3 . 15249 1 173 . 1 1 15 15 GLN C C 13 178.528 0.300 . 1 . . . . 15 GLN C . 15249 1 174 . 1 1 15 15 GLN CA C 13 58.328 0.300 . 1 . . . . 15 GLN CA . 15249 1 175 . 1 1 15 15 GLN CB C 13 28.517 0.300 . 1 . . . . 15 GLN CB . 15249 1 176 . 1 1 15 15 GLN CG C 13 33.967 0.300 . 1 . . . . 15 GLN CG . 15249 1 177 . 1 1 15 15 GLN N N 15 114.772 0.300 . 1 . . . . 15 GLN N . 15249 1 178 . 1 1 15 15 GLN NE2 N 15 111.529 0.300 . 1 . . . . 15 GLN NE2 . 15249 1 179 . 1 1 16 16 LEU H H 1 7.751 0.020 . 1 . . . . 16 LEU H . 15249 1 180 . 1 1 16 16 LEU HA H 1 4.102 0.020 . 1 . . . . 16 LEU HA . 15249 1 181 . 1 1 16 16 LEU HB2 H 1 1.842 0.020 . 2 . . . . 16 LEU HB2 . 15249 1 182 . 1 1 16 16 LEU HB3 H 1 1.431 0.020 . 2 . . . . 16 LEU HB3 . 15249 1 183 . 1 1 16 16 LEU HD11 H 1 0.846 0.020 . 1 . . . . 16 LEU HD1 . 15249 1 184 . 1 1 16 16 LEU HD12 H 1 0.846 0.020 . 1 . . . . 16 LEU HD1 . 15249 1 185 . 1 1 16 16 LEU HD13 H 1 0.846 0.020 . 1 . . . . 16 LEU HD1 . 15249 1 186 . 1 1 16 16 LEU HD21 H 1 0.777 0.020 . 1 . . . . 16 LEU HD2 . 15249 1 187 . 1 1 16 16 LEU HD22 H 1 0.777 0.020 . 1 . . . . 16 LEU HD2 . 15249 1 188 . 1 1 16 16 LEU HD23 H 1 0.777 0.020 . 1 . . . . 16 LEU HD2 . 15249 1 189 . 1 1 16 16 LEU HG H 1 1.811 0.020 . 1 . . . . 16 LEU HG . 15249 1 190 . 1 1 16 16 LEU C C 13 177.845 0.300 . 1 . . . . 16 LEU C . 15249 1 191 . 1 1 16 16 LEU CA C 13 57.530 0.300 . 1 . . . . 16 LEU CA . 15249 1 192 . 1 1 16 16 LEU CB C 13 42.256 0.300 . 1 . . . . 16 LEU CB . 15249 1 193 . 1 1 16 16 LEU CD1 C 13 25.850 0.300 . 1 . . . . 16 LEU CD1 . 15249 1 194 . 1 1 16 16 LEU CD2 C 13 22.986 0.300 . 1 . . . . 16 LEU CD2 . 15249 1 195 . 1 1 16 16 LEU CG C 13 26.948 0.300 . 1 . . . . 16 LEU CG . 15249 1 196 . 1 1 16 16 LEU N N 15 119.527 0.300 . 1 . . . . 16 LEU N . 15249 1 197 . 1 1 17 17 VAL H H 1 7.944 0.020 . 1 . . . . 17 VAL H . 15249 1 198 . 1 1 17 17 VAL HA H 1 3.502 0.020 . 1 . . . . 17 VAL HA . 15249 1 199 . 1 1 17 17 VAL HB H 1 1.878 0.020 . 1 . . . . 17 VAL HB . 15249 1 200 . 1 1 17 17 VAL HG11 H 1 0.597 0.020 . 1 . . . . 17 VAL HG1 . 15249 1 201 . 1 1 17 17 VAL HG12 H 1 0.597 0.020 . 1 . . . . 17 VAL HG1 . 15249 1 202 . 1 1 17 17 VAL HG13 H 1 0.597 0.020 . 1 . . . . 17 VAL HG1 . 15249 1 203 . 1 1 17 17 VAL HG21 H 1 0.517 0.020 . 1 . . . . 17 VAL HG2 . 15249 1 204 . 1 1 17 17 VAL HG22 H 1 0.517 0.020 . 1 . . . . 17 VAL HG2 . 15249 1 205 . 1 1 17 17 VAL HG23 H 1 0.517 0.020 . 1 . . . . 17 VAL HG2 . 15249 1 206 . 1 1 17 17 VAL C C 13 177.931 0.300 . 1 . . . . 17 VAL C . 15249 1 207 . 1 1 17 17 VAL CA C 13 65.165 0.300 . 1 . . . . 17 VAL CA . 15249 1 208 . 1 1 17 17 VAL CB C 13 31.336 0.300 . 1 . . . . 17 VAL CB . 15249 1 209 . 1 1 17 17 VAL CG1 C 13 22.442 0.300 . 1 . . . . 17 VAL CG1 . 15249 1 210 . 1 1 17 17 VAL CG2 C 13 21.325 0.300 . 1 . . . . 17 VAL CG2 . 15249 1 211 . 1 1 17 17 VAL N N 15 114.778 0.300 . 1 . . . . 17 VAL N . 15249 1 212 . 1 1 18 18 ALA H H 1 7.254 0.020 . 1 . . . . 18 ALA H . 15249 1 213 . 1 1 18 18 ALA HA H 1 3.990 0.020 . 1 . . . . 18 ALA HA . 15249 1 214 . 1 1 18 18 ALA HB1 H 1 1.349 0.020 . 1 . . . . 18 ALA HB . 15249 1 215 . 1 1 18 18 ALA HB2 H 1 1.349 0.020 . 1 . . . . 18 ALA HB . 15249 1 216 . 1 1 18 18 ALA HB3 H 1 1.349 0.020 . 1 . . . . 18 ALA HB . 15249 1 217 . 1 1 18 18 ALA C C 13 177.931 0.300 . 1 . . . . 18 ALA C . 15249 1 218 . 1 1 18 18 ALA CA C 13 53.862 0.300 . 1 . . . . 18 ALA CA . 15249 1 219 . 1 1 18 18 ALA CB C 13 18.317 0.300 . 1 . . . . 18 ALA CB . 15249 1 220 . 1 1 18 18 ALA N N 15 120.691 0.300 . 1 . . . . 18 ALA N . 15249 1 221 . 1 1 19 19 ALA H H 1 7.435 0.020 . 1 . . . . 19 ALA H . 15249 1 222 . 1 1 19 19 ALA HA H 1 4.361 0.020 . 1 . . . . 19 ALA HA . 15249 1 223 . 1 1 19 19 ALA HB1 H 1 1.595 0.020 . 1 . . . . 19 ALA HB . 15249 1 224 . 1 1 19 19 ALA HB2 H 1 1.595 0.020 . 1 . . . . 19 ALA HB . 15249 1 225 . 1 1 19 19 ALA HB3 H 1 1.595 0.020 . 1 . . . . 19 ALA HB . 15249 1 226 . 1 1 19 19 ALA C C 13 176.621 0.300 . 1 . . . . 19 ALA C . 15249 1 227 . 1 1 19 19 ALA CA C 13 52.259 0.300 . 1 . . . . 19 ALA CA . 15249 1 228 . 1 1 19 19 ALA CB C 13 19.957 0.300 . 1 . . . . 19 ALA CB . 15249 1 229 . 1 1 19 19 ALA N N 15 118.109 0.300 . 1 . . . . 19 ALA N . 15249 1 230 . 1 1 20 20 VAL H H 1 7.633 0.020 . 1 . . . . 20 VAL H . 15249 1 231 . 1 1 20 20 VAL HA H 1 4.469 0.020 . 1 . . . . 20 VAL HA . 15249 1 232 . 1 1 20 20 VAL HB H 1 2.222 0.020 . 1 . . . . 20 VAL HB . 15249 1 233 . 1 1 20 20 VAL HG11 H 1 0.830 0.020 . 1 . . . . 20 VAL HG1 . 15249 1 234 . 1 1 20 20 VAL HG12 H 1 0.830 0.020 . 1 . . . . 20 VAL HG1 . 15249 1 235 . 1 1 20 20 VAL HG13 H 1 0.830 0.020 . 1 . . . . 20 VAL HG1 . 15249 1 236 . 1 1 20 20 VAL HG21 H 1 0.487 0.020 . 1 . . . . 20 VAL HG2 . 15249 1 237 . 1 1 20 20 VAL HG22 H 1 0.487 0.020 . 1 . . . . 20 VAL HG2 . 15249 1 238 . 1 1 20 20 VAL HG23 H 1 0.487 0.020 . 1 . . . . 20 VAL HG2 . 15249 1 239 . 1 1 20 20 VAL CA C 13 59.609 0.300 . 1 . . . . 20 VAL CA . 15249 1 240 . 1 1 20 20 VAL CB C 13 32.012 0.300 . 1 . . . . 20 VAL CB . 15249 1 241 . 1 1 20 20 VAL CG1 C 13 20.625 0.300 . 1 . . . . 20 VAL CG1 . 15249 1 242 . 1 1 20 20 VAL CG2 C 13 21.884 0.300 . 1 . . . . 20 VAL CG2 . 15249 1 243 . 1 1 20 20 VAL N N 15 119.724 0.300 . 1 . . . . 20 VAL N . 15249 1 244 . 1 1 21 21 PRO HB2 H 1 1.986 0.020 . 2 . . . . 21 PRO HB2 . 15249 1 245 . 1 1 21 21 PRO HB3 H 1 1.943 0.020 . 2 . . . . 21 PRO HB3 . 15249 1 246 . 1 1 21 21 PRO HD2 H 1 4.121 0.020 . 2 . . . . 21 PRO HD2 . 15249 1 247 . 1 1 21 21 PRO HD3 H 1 4.010 0.020 . 2 . . . . 21 PRO HD3 . 15249 1 248 . 1 1 21 21 PRO HG2 H 1 2.154 0.020 . 1 . . . . 21 PRO HG2 . 15249 1 249 . 1 1 21 21 PRO HG3 H 1 2.154 0.020 . 1 . . . . 21 PRO HG3 . 15249 1 250 . 1 1 21 21 PRO C C 13 177.874 0.300 . 1 . . . . 21 PRO C . 15249 1 251 . 1 1 21 21 PRO CA C 13 65.731 0.300 . 1 . . . . 21 PRO CA . 15249 1 252 . 1 1 21 21 PRO CB C 13 32.307 0.300 . 1 . . . . 21 PRO CB . 15249 1 253 . 1 1 21 21 PRO CD C 13 51.371 0.300 . 1 . . . . 21 PRO CD . 15249 1 254 . 1 1 21 21 PRO CG C 13 27.366 0.300 . 1 . . . . 21 PRO CG . 15249 1 255 . 1 1 22 22 LEU H H 1 8.304 0.020 . 1 . . . . 22 LEU H . 15249 1 256 . 1 1 22 22 LEU HA H 1 3.892 0.020 . 1 . . . . 22 LEU HA . 15249 1 257 . 1 1 22 22 LEU HB2 H 1 1.702 0.020 . 2 . . . . 22 LEU HB2 . 15249 1 258 . 1 1 22 22 LEU HB3 H 1 1.647 0.020 . 2 . . . . 22 LEU HB3 . 15249 1 259 . 1 1 22 22 LEU HD11 H 1 0.702 0.020 . 1 . . . . 22 LEU HD1 . 15249 1 260 . 1 1 22 22 LEU HD12 H 1 0.702 0.020 . 1 . . . . 22 LEU HD1 . 15249 1 261 . 1 1 22 22 LEU HD13 H 1 0.702 0.020 . 1 . . . . 22 LEU HD1 . 15249 1 262 . 1 1 22 22 LEU HD21 H 1 0.631 0.020 . 1 . . . . 22 LEU HD2 . 15249 1 263 . 1 1 22 22 LEU HD22 H 1 0.631 0.020 . 1 . . . . 22 LEU HD2 . 15249 1 264 . 1 1 22 22 LEU HD23 H 1 0.631 0.020 . 1 . . . . 22 LEU HD2 . 15249 1 265 . 1 1 22 22 LEU HG H 1 1.437 0.020 . 1 . . . . 22 LEU HG . 15249 1 266 . 1 1 22 22 LEU C C 13 177.874 0.300 . 1 . . . . 22 LEU C . 15249 1 267 . 1 1 22 22 LEU CA C 13 58.164 0.300 . 1 . . . . 22 LEU CA . 15249 1 268 . 1 1 22 22 LEU CB C 13 42.610 0.300 . 1 . . . . 22 LEU CB . 15249 1 269 . 1 1 22 22 LEU CD1 C 13 24.795 0.300 . 1 . . . . 22 LEU CD1 . 15249 1 270 . 1 1 22 22 LEU CD2 C 13 26.066 0.300 . 1 . . . . 22 LEU CD2 . 15249 1 271 . 1 1 22 22 LEU CG C 13 26.681 0.300 . 1 . . . . 22 LEU CG . 15249 1 272 . 1 1 22 22 LEU N N 15 118.952 0.300 . 1 . . . . 22 LEU N . 15249 1 273 . 1 1 23 23 PHE H H 1 7.344 0.020 . 1 . . . . 23 PHE H . 15249 1 274 . 1 1 23 23 PHE HA H 1 4.299 0.020 . 1 . . . . 23 PHE HA . 15249 1 275 . 1 1 23 23 PHE HB2 H 1 3.106 0.020 . 2 . . . . 23 PHE HB2 . 15249 1 276 . 1 1 23 23 PHE HB3 H 1 2.982 0.020 . 2 . . . . 23 PHE HB3 . 15249 1 277 . 1 1 23 23 PHE C C 13 177.475 0.300 . 1 . . . . 23 PHE C . 15249 1 278 . 1 1 23 23 PHE CA C 13 57.963 0.300 . 1 . . . . 23 PHE CA . 15249 1 279 . 1 1 23 23 PHE CB C 13 37.157 0.300 . 1 . . . . 23 PHE CB . 15249 1 280 . 1 1 23 23 PHE N N 15 111.472 0.300 . 1 . . . . 23 PHE N . 15249 1 281 . 1 1 24 24 GLN H H 1 7.929 0.020 . 1 . . . . 24 GLN H . 15249 1 282 . 1 1 24 24 GLN HA H 1 4.143 0.020 . 1 . . . . 24 GLN HA . 15249 1 283 . 1 1 24 24 GLN HB2 H 1 2.230 0.020 . 2 . . . . 24 GLN HB2 . 15249 1 284 . 1 1 24 24 GLN HB3 H 1 2.093 0.020 . 2 . . . . 24 GLN HB3 . 15249 1 285 . 1 1 24 24 GLN HE21 H 1 7.538 0.020 . 2 . . . . 24 GLN HE21 . 15249 1 286 . 1 1 24 24 GLN HE22 H 1 6.768 0.020 . 2 . . . . 24 GLN HE22 . 15249 1 287 . 1 1 24 24 GLN HG2 H 1 2.527 0.020 . 2 . . . . 24 GLN HG2 . 15249 1 288 . 1 1 24 24 GLN HG3 H 1 2.478 0.020 . 2 . . . . 24 GLN HG3 . 15249 1 289 . 1 1 24 24 GLN C C 13 176.934 0.300 . 1 . . . . 24 GLN C . 15249 1 290 . 1 1 24 24 GLN CA C 13 57.738 0.300 . 1 . . . . 24 GLN CA . 15249 1 291 . 1 1 24 24 GLN CB C 13 28.255 0.300 . 1 . . . . 24 GLN CB . 15249 1 292 . 1 1 24 24 GLN CG C 13 34.230 0.300 . 1 . . . . 24 GLN CG . 15249 1 293 . 1 1 24 24 GLN N N 15 117.681 0.300 . 1 . . . . 24 GLN N . 15249 1 294 . 1 1 24 24 GLN NE2 N 15 111.949 0.300 . 1 . . . . 24 GLN NE2 . 15249 1 295 . 1 1 25 25 LYS H H 1 7.558 0.020 . 1 . . . . 25 LYS H . 15249 1 296 . 1 1 25 25 LYS HA H 1 4.245 0.020 . 1 . . . . 25 LYS HA . 15249 1 297 . 1 1 25 25 LYS HB2 H 1 1.931 0.020 . 2 . . . . 25 LYS HB2 . 15249 1 298 . 1 1 25 25 LYS HB3 H 1 1.711 0.020 . 2 . . . . 25 LYS HB3 . 15249 1 299 . 1 1 25 25 LYS HD2 H 1 1.522 0.020 . 1 . . . . 25 LYS HD2 . 15249 1 300 . 1 1 25 25 LYS HD3 H 1 1.522 0.020 . 1 . . . . 25 LYS HD3 . 15249 1 301 . 1 1 25 25 LYS HE2 H 1 2.899 0.020 . 1 . . . . 25 LYS HE2 . 15249 1 302 . 1 1 25 25 LYS HE3 H 1 2.899 0.020 . 1 . . . . 25 LYS HE3 . 15249 1 303 . 1 1 25 25 LYS HG2 H 1 1.422 0.020 . 1 . . . . 25 LYS HG2 . 15249 1 304 . 1 1 25 25 LYS HG3 H 1 1.422 0.020 . 1 . . . . 25 LYS HG3 . 15249 1 305 . 1 1 25 25 LYS C C 13 176.725 0.300 . 1 . . . . 25 LYS C . 15249 1 306 . 1 1 25 25 LYS CA C 13 56.300 0.300 . 1 . . . . 25 LYS CA . 15249 1 307 . 1 1 25 25 LYS CB C 13 32.706 0.300 . 1 . . . . 25 LYS CB . 15249 1 308 . 1 1 25 25 LYS CD C 13 28.892 0.300 . 1 . . . . 25 LYS CD . 15249 1 309 . 1 1 25 25 LYS CE C 13 41.992 0.300 . 1 . . . . 25 LYS CE . 15249 1 310 . 1 1 25 25 LYS CG C 13 25.467 0.300 . 1 . . . . 25 LYS CG . 15249 1 311 . 1 1 25 25 LYS N N 15 115.181 0.300 . 1 . . . . 25 LYS N . 15249 1 312 . 1 1 26 26 LEU H H 1 7.188 0.020 . 1 . . . . 26 LEU H . 15249 1 313 . 1 1 26 26 LEU HA H 1 4.287 0.020 . 1 . . . . 26 LEU HA . 15249 1 314 . 1 1 26 26 LEU HB2 H 1 1.867 0.020 . 2 . . . . 26 LEU HB2 . 15249 1 315 . 1 1 26 26 LEU HB3 H 1 1.376 0.020 . 2 . . . . 26 LEU HB3 . 15249 1 316 . 1 1 26 26 LEU HD11 H 1 0.800 0.020 . 1 . . . . 26 LEU HD1 . 15249 1 317 . 1 1 26 26 LEU HD12 H 1 0.800 0.020 . 1 . . . . 26 LEU HD1 . 15249 1 318 . 1 1 26 26 LEU HD13 H 1 0.800 0.020 . 1 . . . . 26 LEU HD1 . 15249 1 319 . 1 1 26 26 LEU HD21 H 1 0.760 0.020 . 1 . . . . 26 LEU HD2 . 15249 1 320 . 1 1 26 26 LEU HD22 H 1 0.760 0.020 . 1 . . . . 26 LEU HD2 . 15249 1 321 . 1 1 26 26 LEU HD23 H 1 0.760 0.020 . 1 . . . . 26 LEU HD2 . 15249 1 322 . 1 1 26 26 LEU HG H 1 1.704 0.020 . 1 . . . . 26 LEU HG . 15249 1 323 . 1 1 26 26 LEU C C 13 177.005 0.300 . 1 . . . . 26 LEU C . 15249 1 324 . 1 1 26 26 LEU CA C 13 54.385 0.300 . 1 . . . . 26 LEU CA . 15249 1 325 . 1 1 26 26 LEU CB C 13 43.219 0.300 . 1 . . . . 26 LEU CB . 15249 1 326 . 1 1 26 26 LEU CD1 C 13 23.405 0.300 . 1 . . . . 26 LEU CD1 . 15249 1 327 . 1 1 26 26 LEU CD2 C 13 26.091 0.300 . 1 . . . . 26 LEU CD2 . 15249 1 328 . 1 1 26 26 LEU CG C 13 26.912 0.300 . 1 . . . . 26 LEU CG . 15249 1 329 . 1 1 26 26 LEU N N 15 118.942 0.300 . 1 . . . . 26 LEU N . 15249 1 330 . 1 1 27 27 GLY H H 1 8.573 0.020 . 1 . . . . 27 GLY H . 15249 1 331 . 1 1 27 27 GLY HA2 H 1 4.331 0.020 . 2 . . . . 27 GLY HA2 . 15249 1 332 . 1 1 27 27 GLY HA3 H 1 3.853 0.020 . 2 . . . . 27 GLY HA3 . 15249 1 333 . 1 1 27 27 GLY CA C 13 44.296 0.300 . 1 . . . . 27 GLY CA . 15249 1 334 . 1 1 27 27 GLY N N 15 109.133 0.300 . 1 . . . . 27 GLY N . 15249 1 335 . 1 1 28 28 PRO HA H 1 4.186 0.020 . 1 . . . . 28 PRO HA . 15249 1 336 . 1 1 28 28 PRO HB2 H 1 2.355 0.020 . 2 . . . . 28 PRO HB2 . 15249 1 337 . 1 1 28 28 PRO HB3 H 1 1.993 0.020 . 2 . . . . 28 PRO HB3 . 15249 1 338 . 1 1 28 28 PRO HD2 H 1 3.787 0.020 . 2 . . . . 28 PRO HD2 . 15249 1 339 . 1 1 28 28 PRO HD3 H 1 3.760 0.020 . 2 . . . . 28 PRO HD3 . 15249 1 340 . 1 1 28 28 PRO HG2 H 1 2.146 0.020 . 2 . . . . 28 PRO HG2 . 15249 1 341 . 1 1 28 28 PRO HG3 H 1 2.068 0.020 . 2 . . . . 28 PRO HG3 . 15249 1 342 . 1 1 28 28 PRO C C 13 178.371 0.300 . 1 . . . . 28 PRO C . 15249 1 343 . 1 1 28 28 PRO CA C 13 66.021 0.300 . 1 . . . . 28 PRO CA . 15249 1 344 . 1 1 28 28 PRO CB C 13 31.982 0.300 . 1 . . . . 28 PRO CB . 15249 1 345 . 1 1 28 28 PRO CD C 13 49.904 0.300 . 1 . . . . 28 PRO CD . 15249 1 346 . 1 1 28 28 PRO CG C 13 29.289 0.300 . 1 . . . . 28 PRO CG . 15249 1 347 . 1 1 29 29 ALA H H 1 8.278 0.020 . 1 . . . . 29 ALA H . 15249 1 348 . 1 1 29 29 ALA HA H 1 4.164 0.020 . 1 . . . . 29 ALA HA . 15249 1 349 . 1 1 29 29 ALA HB1 H 1 1.429 0.020 . 1 . . . . 29 ALA HB . 15249 1 350 . 1 1 29 29 ALA HB2 H 1 1.429 0.020 . 1 . . . . 29 ALA HB . 15249 1 351 . 1 1 29 29 ALA HB3 H 1 1.429 0.020 . 1 . . . . 29 ALA HB . 15249 1 352 . 1 1 29 29 ALA C C 13 180.207 0.300 . 1 . . . . 29 ALA C . 15249 1 353 . 1 1 29 29 ALA CA C 13 54.962 0.300 . 1 . . . . 29 ALA CA . 15249 1 354 . 1 1 29 29 ALA CB C 13 18.238 0.300 . 1 . . . . 29 ALA CB . 15249 1 355 . 1 1 29 29 ALA N N 15 118.332 0.300 . 1 . . . . 29 ALA N . 15249 1 356 . 1 1 30 30 VAL H H 1 7.398 0.020 . 1 . . . . 30 VAL H . 15249 1 357 . 1 1 30 30 VAL HA H 1 3.799 0.020 . 1 . . . . 30 VAL HA . 15249 1 358 . 1 1 30 30 VAL HB H 1 1.992 0.020 . 1 . . . . 30 VAL HB . 15249 1 359 . 1 1 30 30 VAL HG11 H 1 0.995 0.020 . 1 . . . . 30 VAL HG1 . 15249 1 360 . 1 1 30 30 VAL HG12 H 1 0.995 0.020 . 1 . . . . 30 VAL HG1 . 15249 1 361 . 1 1 30 30 VAL HG13 H 1 0.995 0.020 . 1 . . . . 30 VAL HG1 . 15249 1 362 . 1 1 30 30 VAL HG21 H 1 0.914 0.020 . 1 . . . . 30 VAL HG2 . 15249 1 363 . 1 1 30 30 VAL HG22 H 1 0.914 0.020 . 1 . . . . 30 VAL HG2 . 15249 1 364 . 1 1 30 30 VAL HG23 H 1 0.914 0.020 . 1 . . . . 30 VAL HG2 . 15249 1 365 . 1 1 30 30 VAL C C 13 177.619 0.300 . 1 . . . . 30 VAL C . 15249 1 366 . 1 1 30 30 VAL CA C 13 64.722 0.300 . 1 . . . . 30 VAL CA . 15249 1 367 . 1 1 30 30 VAL CB C 13 32.073 0.300 . 1 . . . . 30 VAL CB . 15249 1 368 . 1 1 30 30 VAL CG1 C 13 22.407 0.300 . 1 . . . . 30 VAL CG1 . 15249 1 369 . 1 1 30 30 VAL CG2 C 13 21.986 0.300 . 1 . . . . 30 VAL CG2 . 15249 1 370 . 1 1 30 30 VAL N N 15 118.044 0.300 . 1 . . . . 30 VAL N . 15249 1 371 . 1 1 31 31 LEU H H 1 8.299 0.020 . 1 . . . . 31 LEU H . 15249 1 372 . 1 1 31 31 LEU HA H 1 3.797 0.020 . 1 . . . . 31 LEU HA . 15249 1 373 . 1 1 31 31 LEU HB2 H 1 1.785 0.020 . 2 . . . . 31 LEU HB2 . 15249 1 374 . 1 1 31 31 LEU HB3 H 1 1.474 0.020 . 2 . . . . 31 LEU HB3 . 15249 1 375 . 1 1 31 31 LEU HD11 H 1 0.821 0.020 . 1 . . . . 31 LEU HD1 . 15249 1 376 . 1 1 31 31 LEU HD12 H 1 0.821 0.020 . 1 . . . . 31 LEU HD1 . 15249 1 377 . 1 1 31 31 LEU HD13 H 1 0.821 0.020 . 1 . . . . 31 LEU HD1 . 15249 1 378 . 1 1 31 31 LEU HD21 H 1 0.678 0.020 . 1 . . . . 31 LEU HD2 . 15249 1 379 . 1 1 31 31 LEU HD22 H 1 0.678 0.020 . 1 . . . . 31 LEU HD2 . 15249 1 380 . 1 1 31 31 LEU HD23 H 1 0.678 0.020 . 1 . . . . 31 LEU HD2 . 15249 1 381 . 1 1 31 31 LEU HG H 1 1.409 0.020 . 1 . . . . 31 LEU HG . 15249 1 382 . 1 1 31 31 LEU C C 13 177.988 0.300 . 1 . . . . 31 LEU C . 15249 1 383 . 1 1 31 31 LEU CA C 13 58.372 0.300 . 1 . . . . 31 LEU CA . 15249 1 384 . 1 1 31 31 LEU CB C 13 41.694 0.300 . 1 . . . . 31 LEU CB . 15249 1 385 . 1 1 31 31 LEU CD1 C 13 25.529 0.300 . 1 . . . . 31 LEU CD1 . 15249 1 386 . 1 1 31 31 LEU CD2 C 13 23.779 0.300 . 1 . . . . 31 LEU CD2 . 15249 1 387 . 1 1 31 31 LEU CG C 13 26.915 0.300 . 1 . . . . 31 LEU CG . 15249 1 388 . 1 1 31 31 LEU N N 15 120.790 0.300 . 1 . . . . 31 LEU N . 15249 1 389 . 1 1 32 32 VAL H H 1 7.580 0.020 . 1 . . . . 32 VAL H . 15249 1 390 . 1 1 32 32 VAL HA H 1 3.604 0.020 . 1 . . . . 32 VAL HA . 15249 1 391 . 1 1 32 32 VAL HB H 1 2.161 0.020 . 1 . . . . 32 VAL HB . 15249 1 392 . 1 1 32 32 VAL HG11 H 1 1.161 0.020 . 1 . . . . 32 VAL HG1 . 15249 1 393 . 1 1 32 32 VAL HG12 H 1 1.161 0.020 . 1 . . . . 32 VAL HG1 . 15249 1 394 . 1 1 32 32 VAL HG13 H 1 1.161 0.020 . 1 . . . . 32 VAL HG1 . 15249 1 395 . 1 1 32 32 VAL HG21 H 1 0.968 0.020 . 1 . . . . 32 VAL HG2 . 15249 1 396 . 1 1 32 32 VAL HG22 H 1 0.968 0.020 . 1 . . . . 32 VAL HG2 . 15249 1 397 . 1 1 32 32 VAL HG23 H 1 0.968 0.020 . 1 . . . . 32 VAL HG2 . 15249 1 398 . 1 1 32 32 VAL C C 13 177.264 0.300 . 1 . . . . 32 VAL C . 15249 1 399 . 1 1 32 32 VAL CA C 13 66.852 0.300 . 1 . . . . 32 VAL CA . 15249 1 400 . 1 1 32 32 VAL CB C 13 31.736 0.300 . 1 . . . . 32 VAL CB . 15249 1 401 . 1 1 32 32 VAL CG1 C 13 22.850 0.300 . 1 . . . . 32 VAL CG1 . 15249 1 402 . 1 1 32 32 VAL CG2 C 13 21.170 0.300 . 1 . . . . 32 VAL CG2 . 15249 1 403 . 1 1 32 32 VAL N N 15 114.796 0.300 . 1 . . . . 32 VAL N . 15249 1 404 . 1 1 33 33 GLU H H 1 6.946 0.020 . 1 . . . . 33 GLU H . 15249 1 405 . 1 1 33 33 GLU HA H 1 4.039 0.020 . 1 . . . . 33 GLU HA . 15249 1 406 . 1 1 33 33 GLU HB2 H 1 2.089 0.020 . 2 . . . . 33 GLU HB2 . 15249 1 407 . 1 1 33 33 GLU HB3 H 1 2.043 0.020 . 2 . . . . 33 GLU HB3 . 15249 1 408 . 1 1 33 33 GLU HG2 H 1 2.364 0.020 . 2 . . . . 33 GLU HG2 . 15249 1 409 . 1 1 33 33 GLU HG3 H 1 2.291 0.020 . 2 . . . . 33 GLU HG3 . 15249 1 410 . 1 1 33 33 GLU C C 13 173.689 0.300 . 1 . . . . 33 GLU C . 15249 1 411 . 1 1 33 33 GLU CA C 13 58.581 0.300 . 1 . . . . 33 GLU CA . 15249 1 412 . 1 1 33 33 GLU CB C 13 29.323 0.300 . 1 . . . . 33 GLU CB . 15249 1 413 . 1 1 33 33 GLU CG C 13 35.687 0.300 . 1 . . . . 33 GLU CG . 15249 1 414 . 1 1 33 33 GLU N N 15 116.962 0.300 . 1 . . . . 33 GLU N . 15249 1 415 . 1 1 34 34 ILE H H 1 8.158 0.020 . 1 . . . . 34 ILE H . 15249 1 416 . 1 1 34 34 ILE HA H 1 3.799 0.020 . 1 . . . . 34 ILE HA . 15249 1 417 . 1 1 34 34 ILE HB H 1 1.840 0.020 . 1 . . . . 34 ILE HB . 15249 1 418 . 1 1 34 34 ILE HD11 H 1 0.557 0.020 . 1 . . . . 34 ILE HD1 . 15249 1 419 . 1 1 34 34 ILE HD12 H 1 0.557 0.020 . 1 . . . . 34 ILE HD1 . 15249 1 420 . 1 1 34 34 ILE HD13 H 1 0.557 0.020 . 1 . . . . 34 ILE HD1 . 15249 1 421 . 1 1 34 34 ILE HG12 H 1 1.426 0.020 . 2 . . . . 34 ILE HG12 . 15249 1 422 . 1 1 34 34 ILE HG13 H 1 1.147 0.020 . 2 . . . . 34 ILE HG13 . 15249 1 423 . 1 1 34 34 ILE HG21 H 1 0.473 0.020 . 1 . . . . 34 ILE HG2 . 15249 1 424 . 1 1 34 34 ILE HG22 H 1 0.473 0.020 . 1 . . . . 34 ILE HG2 . 15249 1 425 . 1 1 34 34 ILE HG23 H 1 0.473 0.020 . 1 . . . . 34 ILE HG2 . 15249 1 426 . 1 1 34 34 ILE C C 13 177.505 0.300 . 1 . . . . 34 ILE C . 15249 1 427 . 1 1 34 34 ILE CA C 13 61.829 0.300 . 1 . . . . 34 ILE CA . 15249 1 428 . 1 1 34 34 ILE CB C 13 36.147 0.300 . 1 . . . . 34 ILE CB . 15249 1 429 . 1 1 34 34 ILE CD1 C 13 11.525 0.300 . 1 . . . . 34 ILE CD1 . 15249 1 430 . 1 1 34 34 ILE CG1 C 13 27.984 0.300 . 1 . . . . 34 ILE CG1 . 15249 1 431 . 1 1 34 34 ILE CG2 C 13 17.449 0.300 . 1 . . . . 34 ILE CG2 . 15249 1 432 . 1 1 34 34 ILE N N 15 119.894 0.300 . 1 . . . . 34 ILE N . 15249 1 433 . 1 1 35 35 VAL H H 1 8.439 0.020 . 1 . . . . 35 VAL H . 15249 1 434 . 1 1 35 35 VAL HA H 1 3.181 0.020 . 1 . . . . 35 VAL HA . 15249 1 435 . 1 1 35 35 VAL HB H 1 1.780 0.020 . 1 . . . . 35 VAL HB . 15249 1 436 . 1 1 35 35 VAL HG11 H 1 0.343 0.020 . 1 . . . . 35 VAL HG1 . 15249 1 437 . 1 1 35 35 VAL HG12 H 1 0.343 0.020 . 1 . . . . 35 VAL HG1 . 15249 1 438 . 1 1 35 35 VAL HG13 H 1 0.343 0.020 . 1 . . . . 35 VAL HG1 . 15249 1 439 . 1 1 35 35 VAL HG21 H 1 0.232 0.020 . 1 . . . . 35 VAL HG2 . 15249 1 440 . 1 1 35 35 VAL HG22 H 1 0.232 0.020 . 1 . . . . 35 VAL HG2 . 15249 1 441 . 1 1 35 35 VAL HG23 H 1 0.232 0.020 . 1 . . . . 35 VAL HG2 . 15249 1 442 . 1 1 35 35 VAL C C 13 177.746 0.300 . 1 . . . . 35 VAL C . 15249 1 443 . 1 1 35 35 VAL CA C 13 67.159 0.300 . 1 . . . . 35 VAL CA . 15249 1 444 . 1 1 35 35 VAL CB C 13 30.868 0.300 . 1 . . . . 35 VAL CB . 15249 1 445 . 1 1 35 35 VAL CG1 C 13 23.612 0.300 . 1 . . . . 35 VAL CG1 . 15249 1 446 . 1 1 35 35 VAL CG2 C 13 21.763 0.300 . 1 . . . . 35 VAL CG2 . 15249 1 447 . 1 1 35 35 VAL N N 15 120.630 0.300 . 1 . . . . 35 VAL N . 15249 1 448 . 1 1 36 36 ARG H H 1 7.340 0.020 . 1 . . . . 36 ARG H . 15249 1 449 . 1 1 36 36 ARG HA H 1 3.879 0.020 . 1 . . . . 36 ARG HA . 15249 1 450 . 1 1 36 36 ARG HB2 H 1 1.801 0.020 . 1 . . . . 36 ARG HB2 . 15249 1 451 . 1 1 36 36 ARG HB3 H 1 1.801 0.020 . 1 . . . . 36 ARG HB3 . 15249 1 452 . 1 1 36 36 ARG HD2 H 1 3.100 0.020 . 2 . . . . 36 ARG HD2 . 15249 1 453 . 1 1 36 36 ARG HD3 H 1 3.074 0.020 . 2 . . . . 36 ARG HD3 . 15249 1 454 . 1 1 36 36 ARG HE H 1 7.266 0.020 . 1 . . . . 36 ARG HE . 15249 1 455 . 1 1 36 36 ARG HG2 H 1 1.768 0.020 . 2 . . . . 36 ARG HG2 . 15249 1 456 . 1 1 36 36 ARG HG3 H 1 1.407 0.020 . 2 . . . . 36 ARG HG3 . 15249 1 457 . 1 1 36 36 ARG C C 13 176.754 0.300 . 1 . . . . 36 ARG C . 15249 1 458 . 1 1 36 36 ARG CA C 13 58.572 0.300 . 1 . . . . 36 ARG CA . 15249 1 459 . 1 1 36 36 ARG CB C 13 30.434 0.300 . 1 . . . . 36 ARG CB . 15249 1 460 . 1 1 36 36 ARG CD C 13 43.635 0.300 . 1 . . . . 36 ARG CD . 15249 1 461 . 1 1 36 36 ARG CG C 13 27.751 0.300 . 1 . . . . 36 ARG CG . 15249 1 462 . 1 1 36 36 ARG N N 15 115.594 0.300 . 1 . . . . 36 ARG N . 15249 1 463 . 1 1 36 36 ARG NE N 15 84.627 0.300 . 1 . . . . 36 ARG NE . 15249 1 464 . 1 1 37 37 ALA H H 1 7.390 0.020 . 1 . . . . 37 ALA H . 15249 1 465 . 1 1 37 37 ALA HA H 1 4.286 0.020 . 1 . . . . 37 ALA HA . 15249 1 466 . 1 1 37 37 ALA HB1 H 1 1.389 0.020 . 1 . . . . 37 ALA HB . 15249 1 467 . 1 1 37 37 ALA HB2 H 1 1.389 0.020 . 1 . . . . 37 ALA HB . 15249 1 468 . 1 1 37 37 ALA HB3 H 1 1.389 0.020 . 1 . . . . 37 ALA HB . 15249 1 469 . 1 1 37 37 ALA C C 13 178.627 0.300 . 1 . . . . 37 ALA C . 15249 1 470 . 1 1 37 37 ALA CA C 13 52.904 0.300 . 1 . . . . 37 ALA CA . 15249 1 471 . 1 1 37 37 ALA CB C 13 19.773 0.300 . 1 . . . . 37 ALA CB . 15249 1 472 . 1 1 37 37 ALA N N 15 120.242 0.300 . 1 . . . . 37 ALA N . 15249 1 473 . 1 1 38 38 LEU H H 1 7.411 0.020 . 1 . . . . 38 LEU H . 15249 1 474 . 1 1 38 38 LEU HA H 1 4.572 0.020 . 1 . . . . 38 LEU HA . 15249 1 475 . 1 1 38 38 LEU HB2 H 1 1.702 0.020 . 2 . . . . 38 LEU HB2 . 15249 1 476 . 1 1 38 38 LEU HB3 H 1 1.191 0.020 . 2 . . . . 38 LEU HB3 . 15249 1 477 . 1 1 38 38 LEU HD11 H 1 0.765 0.020 . 1 . . . . 38 LEU HD1 . 15249 1 478 . 1 1 38 38 LEU HD12 H 1 0.765 0.020 . 1 . . . . 38 LEU HD1 . 15249 1 479 . 1 1 38 38 LEU HD13 H 1 0.765 0.020 . 1 . . . . 38 LEU HD1 . 15249 1 480 . 1 1 38 38 LEU HD21 H 1 0.455 0.020 . 1 . . . . 38 LEU HD2 . 15249 1 481 . 1 1 38 38 LEU HD22 H 1 0.455 0.020 . 1 . . . . 38 LEU HD2 . 15249 1 482 . 1 1 38 38 LEU HD23 H 1 0.455 0.020 . 1 . . . . 38 LEU HD2 . 15249 1 483 . 1 1 38 38 LEU HG H 1 1.962 0.020 . 1 . . . . 38 LEU HG . 15249 1 484 . 1 1 38 38 LEU C C 13 177.066 0.300 . 1 . . . . 38 LEU C . 15249 1 485 . 1 1 38 38 LEU CA C 13 55.514 0.300 . 1 . . . . 38 LEU CA . 15249 1 486 . 1 1 38 38 LEU CB C 13 43.761 0.300 . 1 . . . . 38 LEU CB . 15249 1 487 . 1 1 38 38 LEU CD1 C 13 24.501 0.300 . 1 . . . . 38 LEU CD1 . 15249 1 488 . 1 1 38 38 LEU CD2 C 13 27.614 0.300 . 1 . . . . 38 LEU CD2 . 15249 1 489 . 1 1 38 38 LEU CG C 13 25.873 0.300 . 1 . . . . 38 LEU CG . 15249 1 490 . 1 1 38 38 LEU N N 15 119.873 0.300 . 1 . . . . 38 LEU N . 15249 1 491 . 1 1 39 39 ARG H H 1 8.424 0.020 . 1 . . . . 39 ARG H . 15249 1 492 . 1 1 39 39 ARG HA H 1 4.867 0.020 . 1 . . . . 39 ARG HA . 15249 1 493 . 1 1 39 39 ARG HB2 H 1 1.851 0.020 . 2 . . . . 39 ARG HB2 . 15249 1 494 . 1 1 39 39 ARG HB3 H 1 1.811 0.020 . 2 . . . . 39 ARG HB3 . 15249 1 495 . 1 1 39 39 ARG HD2 H 1 3.206 0.020 . 2 . . . . 39 ARG HD2 . 15249 1 496 . 1 1 39 39 ARG HD3 H 1 3.139 0.020 . 2 . . . . 39 ARG HD3 . 15249 1 497 . 1 1 39 39 ARG HG2 H 1 1.720 0.020 . 2 . . . . 39 ARG HG2 . 15249 1 498 . 1 1 39 39 ARG HG3 H 1 1.642 0.020 . 2 . . . . 39 ARG HG3 . 15249 1 499 . 1 1 39 39 ARG C C 13 175.718 0.300 . 1 . . . . 39 ARG C . 15249 1 500 . 1 1 39 39 ARG CA C 13 53.898 0.300 . 1 . . . . 39 ARG CA . 15249 1 501 . 1 1 39 39 ARG CB C 13 32.010 0.300 . 1 . . . . 39 ARG CB . 15249 1 502 . 1 1 39 39 ARG CD C 13 43.280 0.300 . 1 . . . . 39 ARG CD . 15249 1 503 . 1 1 39 39 ARG CG C 13 27.151 0.300 . 1 . . . . 39 ARG CG . 15249 1 504 . 1 1 39 39 ARG N N 15 119.612 0.300 . 1 . . . . 39 ARG N . 15249 1 505 . 1 1 40 40 ALA H H 1 8.998 0.020 . 1 . . . . 40 ALA H . 15249 1 506 . 1 1 40 40 ALA HA H 1 5.261 0.020 . 1 . . . . 40 ALA HA . 15249 1 507 . 1 1 40 40 ALA HB1 H 1 1.377 0.020 . 1 . . . . 40 ALA HB . 15249 1 508 . 1 1 40 40 ALA HB2 H 1 1.377 0.020 . 1 . . . . 40 ALA HB . 15249 1 509 . 1 1 40 40 ALA HB3 H 1 1.377 0.020 . 1 . . . . 40 ALA HB . 15249 1 510 . 1 1 40 40 ALA C C 13 177.588 0.300 . 1 . . . . 40 ALA C . 15249 1 511 . 1 1 40 40 ALA CA C 13 51.744 0.300 . 1 . . . . 40 ALA CA . 15249 1 512 . 1 1 40 40 ALA CB C 13 20.563 0.300 . 1 . . . . 40 ALA CB . 15249 1 513 . 1 1 40 40 ALA N N 15 128.623 0.300 . 1 . . . . 40 ALA N . 15249 1 514 . 1 1 41 41 ARG H H 1 8.731 0.020 . 1 . . . . 41 ARG H . 15249 1 515 . 1 1 41 41 ARG HA H 1 4.685 0.020 . 1 . . . . 41 ARG HA . 15249 1 516 . 1 1 41 41 ARG HB2 H 1 1.821 0.020 . 2 . . . . 41 ARG HB2 . 15249 1 517 . 1 1 41 41 ARG HB3 H 1 1.780 0.020 . 2 . . . . 41 ARG HB3 . 15249 1 518 . 1 1 41 41 ARG HD2 H 1 3.284 0.020 . 2 . . . . 41 ARG HD2 . 15249 1 519 . 1 1 41 41 ARG HD3 H 1 3.107 0.020 . 2 . . . . 41 ARG HD3 . 15249 1 520 . 1 1 41 41 ARG HG2 H 1 1.640 0.020 . 2 . . . . 41 ARG HG2 . 15249 1 521 . 1 1 41 41 ARG HG3 H 1 1.551 0.020 . 2 . . . . 41 ARG HG3 . 15249 1 522 . 1 1 41 41 ARG C C 13 174.101 0.300 . 1 . . . . 41 ARG C . 15249 1 523 . 1 1 41 41 ARG CA C 13 55.887 0.300 . 1 . . . . 41 ARG CA . 15249 1 524 . 1 1 41 41 ARG CB C 13 34.735 0.300 . 1 . . . . 41 ARG CB . 15249 1 525 . 1 1 41 41 ARG CD C 13 43.953 0.300 . 1 . . . . 41 ARG CD . 15249 1 526 . 1 1 41 41 ARG CG C 13 26.716 0.300 . 1 . . . . 41 ARG CG . 15249 1 527 . 1 1 41 41 ARG N N 15 121.187 0.300 . 1 . . . . 41 ARG N . 15249 1 528 . 1 1 42 42 THR H H 1 8.763 0.020 . 1 . . . . 42 THR H . 15249 1 529 . 1 1 42 42 THR HA H 1 5.415 0.020 . 1 . . . . 42 THR HA . 15249 1 530 . 1 1 42 42 THR HB H 1 3.918 0.020 . 1 . . . . 42 THR HB . 15249 1 531 . 1 1 42 42 THR HG21 H 1 1.056 0.020 . 1 . . . . 42 THR HG2 . 15249 1 532 . 1 1 42 42 THR HG22 H 1 1.056 0.020 . 1 . . . . 42 THR HG2 . 15249 1 533 . 1 1 42 42 THR HG23 H 1 1.056 0.020 . 1 . . . . 42 THR HG2 . 15249 1 534 . 1 1 42 42 THR C C 13 174.229 0.300 . 1 . . . . 42 THR C . 15249 1 535 . 1 1 42 42 THR CA C 13 61.518 0.300 . 1 . . . . 42 THR CA . 15249 1 536 . 1 1 42 42 THR CB C 13 70.362 0.300 . 1 . . . . 42 THR CB . 15249 1 537 . 1 1 42 42 THR CG2 C 13 21.512 0.300 . 1 . . . . 42 THR CG2 . 15249 1 538 . 1 1 42 42 THR N N 15 121.494 0.300 . 1 . . . . 42 THR N . 15249 1 539 . 1 1 43 43 VAL H H 1 9.308 0.020 . 1 . . . . 43 VAL H . 15249 1 540 . 1 1 43 43 VAL HA H 1 4.689 0.020 . 1 . . . . 43 VAL HA . 15249 1 541 . 1 1 43 43 VAL HB H 1 1.984 0.020 . 1 . . . . 43 VAL HB . 15249 1 542 . 1 1 43 43 VAL HG11 H 1 0.933 0.020 . 1 . . . . 43 VAL HG1 . 15249 1 543 . 1 1 43 43 VAL HG12 H 1 0.933 0.020 . 1 . . . . 43 VAL HG1 . 15249 1 544 . 1 1 43 43 VAL HG13 H 1 0.933 0.020 . 1 . . . . 43 VAL HG1 . 15249 1 545 . 1 1 43 43 VAL HG21 H 1 0.745 0.020 . 1 . . . . 43 VAL HG2 . 15249 1 546 . 1 1 43 43 VAL HG22 H 1 0.745 0.020 . 1 . . . . 43 VAL HG2 . 15249 1 547 . 1 1 43 43 VAL HG23 H 1 0.745 0.020 . 1 . . . . 43 VAL HG2 . 15249 1 548 . 1 1 43 43 VAL CA C 13 58.250 0.300 . 1 . . . . 43 VAL CA . 15249 1 549 . 1 1 43 43 VAL CB C 13 34.095 0.300 . 1 . . . . 43 VAL CB . 15249 1 550 . 1 1 43 43 VAL CG1 C 13 21.919 0.300 . 1 . . . . 43 VAL CG1 . 15249 1 551 . 1 1 43 43 VAL CG2 C 13 20.613 0.300 . 1 . . . . 43 VAL CG2 . 15249 1 552 . 1 1 43 43 VAL N N 15 127.190 0.300 . 1 . . . . 43 VAL N . 15249 1 553 . 1 1 44 44 PRO HA H 1 4.541 0.020 . 1 . . . . 44 PRO HA . 15249 1 554 . 1 1 44 44 PRO HB2 H 1 2.223 0.020 . 1 . . . . 44 PRO HB2 . 15249 1 555 . 1 1 44 44 PRO HB3 H 1 2.223 0.020 . 1 . . . . 44 PRO HB3 . 15249 1 556 . 1 1 44 44 PRO HD2 H 1 3.732 0.020 . 2 . . . . 44 PRO HD2 . 15249 1 557 . 1 1 44 44 PRO HD3 H 1 3.658 0.020 . 2 . . . . 44 PRO HD3 . 15249 1 558 . 1 1 44 44 PRO HG2 H 1 1.950 0.020 . 2 . . . . 44 PRO HG2 . 15249 1 559 . 1 1 44 44 PRO HG3 H 1 1.919 0.020 . 2 . . . . 44 PRO HG3 . 15249 1 560 . 1 1 44 44 PRO C C 13 174.995 0.300 . 1 . . . . 44 PRO C . 15249 1 561 . 1 1 44 44 PRO CA C 13 61.962 0.300 . 1 . . . . 44 PRO CA . 15249 1 562 . 1 1 44 44 PRO CB C 13 32.709 0.300 . 1 . . . . 44 PRO CB . 15249 1 563 . 1 1 44 44 PRO CD C 13 50.973 0.300 . 1 . . . . 44 PRO CD . 15249 1 564 . 1 1 44 44 PRO CG C 13 26.999 0.300 . 1 . . . . 44 PRO CG . 15249 1 565 . 1 1 45 45 ALA H H 1 7.792 0.020 . 1 . . . . 45 ALA H . 15249 1 566 . 1 1 45 45 ALA HA H 1 3.367 0.020 . 1 . . . . 45 ALA HA . 15249 1 567 . 1 1 45 45 ALA HB1 H 1 1.144 0.020 . 1 . . . . 45 ALA HB . 15249 1 568 . 1 1 45 45 ALA HB2 H 1 1.144 0.020 . 1 . . . . 45 ALA HB . 15249 1 569 . 1 1 45 45 ALA HB3 H 1 1.144 0.020 . 1 . . . . 45 ALA HB . 15249 1 570 . 1 1 45 45 ALA C C 13 178.583 0.300 . 1 . . . . 45 ALA C . 15249 1 571 . 1 1 45 45 ALA CA C 13 53.666 0.300 . 1 . . . . 45 ALA CA . 15249 1 572 . 1 1 45 45 ALA CB C 13 18.445 0.300 . 1 . . . . 45 ALA CB . 15249 1 573 . 1 1 45 45 ALA N N 15 120.349 0.300 . 1 . . . . 45 ALA N . 15249 1 574 . 1 1 46 46 GLY H H 1 8.661 0.020 . 1 . . . . 46 GLY H . 15249 1 575 . 1 1 46 46 GLY HA2 H 1 4.286 0.020 . 2 . . . . 46 GLY HA2 . 15249 1 576 . 1 1 46 46 GLY HA3 H 1 3.585 0.020 . 2 . . . . 46 GLY HA3 . 15249 1 577 . 1 1 46 46 GLY C C 13 174.300 0.300 . 1 . . . . 46 GLY C . 15249 1 578 . 1 1 46 46 GLY CA C 13 44.845 0.300 . 1 . . . . 46 GLY CA . 15249 1 579 . 1 1 46 46 GLY N N 15 111.453 0.300 . 1 . . . . 46 GLY N . 15249 1 580 . 1 1 47 47 ALA H H 1 7.752 0.020 . 1 . . . . 47 ALA H . 15249 1 581 . 1 1 47 47 ALA HA H 1 4.263 0.020 . 1 . . . . 47 ALA HA . 15249 1 582 . 1 1 47 47 ALA HB1 H 1 1.320 0.020 . 1 . . . . 47 ALA HB . 15249 1 583 . 1 1 47 47 ALA HB2 H 1 1.320 0.020 . 1 . . . . 47 ALA HB . 15249 1 584 . 1 1 47 47 ALA HB3 H 1 1.320 0.020 . 1 . . . . 47 ALA HB . 15249 1 585 . 1 1 47 47 ALA C C 13 177.051 0.300 . 1 . . . . 47 ALA C . 15249 1 586 . 1 1 47 47 ALA CA C 13 52.414 0.300 . 1 . . . . 47 ALA CA . 15249 1 587 . 1 1 47 47 ALA CB C 13 19.385 0.300 . 1 . . . . 47 ALA CB . 15249 1 588 . 1 1 47 47 ALA N N 15 123.450 0.300 . 1 . . . . 47 ALA N . 15249 1 589 . 1 1 48 48 VAL H H 1 8.501 0.020 . 1 . . . . 48 VAL H . 15249 1 590 . 1 1 48 48 VAL HA H 1 3.709 0.020 . 1 . . . . 48 VAL HA . 15249 1 591 . 1 1 48 48 VAL HB H 1 1.866 0.020 . 1 . . . . 48 VAL HB . 15249 1 592 . 1 1 48 48 VAL HG11 H 1 0.713 0.020 . 1 . . . . 48 VAL HG1 . 15249 1 593 . 1 1 48 48 VAL HG12 H 1 0.713 0.020 . 1 . . . . 48 VAL HG1 . 15249 1 594 . 1 1 48 48 VAL HG13 H 1 0.713 0.020 . 1 . . . . 48 VAL HG1 . 15249 1 595 . 1 1 48 48 VAL HG21 H 1 0.907 0.020 . 1 . . . . 48 VAL HG2 . 15249 1 596 . 1 1 48 48 VAL HG22 H 1 0.907 0.020 . 1 . . . . 48 VAL HG2 . 15249 1 597 . 1 1 48 48 VAL HG23 H 1 0.907 0.020 . 1 . . . . 48 VAL HG2 . 15249 1 598 . 1 1 48 48 VAL C C 13 176.186 0.300 . 1 . . . . 48 VAL C . 15249 1 599 . 1 1 48 48 VAL CA C 13 63.888 0.300 . 1 . . . . 48 VAL CA . 15249 1 600 . 1 1 48 48 VAL CB C 13 32.220 0.300 . 1 . . . . 48 VAL CB . 15249 1 601 . 1 1 48 48 VAL CG1 C 13 22.179 0.300 . 1 . . . . 48 VAL CG1 . 15249 1 602 . 1 1 48 48 VAL CG2 C 13 22.007 0.300 . 1 . . . . 48 VAL CG2 . 15249 1 603 . 1 1 48 48 VAL N N 15 121.932 0.300 . 1 . . . . 48 VAL N . 15249 1 604 . 1 1 49 49 ILE H H 1 9.145 0.020 . 1 . . . . 49 ILE H . 15249 1 605 . 1 1 49 49 ILE HA H 1 3.841 0.020 . 1 . . . . 49 ILE HA . 15249 1 606 . 1 1 49 49 ILE HB H 1 1.210 0.020 . 1 . . . . 49 ILE HB . 15249 1 607 . 1 1 49 49 ILE HD11 H 1 0.584 0.020 . 1 . . . . 49 ILE HD1 . 15249 1 608 . 1 1 49 49 ILE HD12 H 1 0.584 0.020 . 1 . . . . 49 ILE HD1 . 15249 1 609 . 1 1 49 49 ILE HD13 H 1 0.584 0.020 . 1 . . . . 49 ILE HD1 . 15249 1 610 . 1 1 49 49 ILE HG12 H 1 1.520 0.020 . 2 . . . . 49 ILE HG12 . 15249 1 611 . 1 1 49 49 ILE HG13 H 1 0.692 0.020 . 2 . . . . 49 ILE HG13 . 15249 1 612 . 1 1 49 49 ILE HG21 H 1 0.254 0.020 . 1 . . . . 49 ILE HG2 . 15249 1 613 . 1 1 49 49 ILE HG22 H 1 0.254 0.020 . 1 . . . . 49 ILE HG2 . 15249 1 614 . 1 1 49 49 ILE HG23 H 1 0.254 0.020 . 1 . . . . 49 ILE HG2 . 15249 1 615 . 1 1 49 49 ILE C C 13 176.129 0.300 . 1 . . . . 49 ILE C . 15249 1 616 . 1 1 49 49 ILE CA C 13 63.337 0.300 . 1 . . . . 49 ILE CA . 15249 1 617 . 1 1 49 49 ILE CB C 13 39.672 0.300 . 1 . . . . 49 ILE CB . 15249 1 618 . 1 1 49 49 ILE CD1 C 13 15.363 0.300 . 1 . . . . 49 ILE CD1 . 15249 1 619 . 1 1 49 49 ILE CG1 C 13 28.844 0.300 . 1 . . . . 49 ILE CG1 . 15249 1 620 . 1 1 49 49 ILE CG2 C 13 17.790 0.300 . 1 . . . . 49 ILE CG2 . 15249 1 621 . 1 1 49 49 ILE N N 15 129.087 0.300 . 1 . . . . 49 ILE N . 15249 1 622 . 1 1 50 50 CYS H H 1 7.844 0.020 . 1 . . . . 50 CYS H . 15249 1 623 . 1 1 50 50 CYS HA H 1 4.937 0.020 . 1 . . . . 50 CYS HA . 15249 1 624 . 1 1 50 50 CYS HB2 H 1 2.989 0.020 . 2 . . . . 50 CYS HB2 . 15249 1 625 . 1 1 50 50 CYS HB3 H 1 2.911 0.020 . 2 . . . . 50 CYS HB3 . 15249 1 626 . 1 1 50 50 CYS C C 13 171.009 0.300 . 1 . . . . 50 CYS C . 15249 1 627 . 1 1 50 50 CYS CA C 13 55.949 0.300 . 1 . . . . 50 CYS CA . 15249 1 628 . 1 1 50 50 CYS CB C 13 31.695 0.300 . 1 . . . . 50 CYS CB . 15249 1 629 . 1 1 50 50 CYS N N 15 112.623 0.300 . 1 . . . . 50 CYS N . 15249 1 630 . 1 1 51 51 ARG H H 1 8.784 0.020 . 1 . . . . 51 ARG H . 15249 1 631 . 1 1 51 51 ARG HA H 1 4.753 0.020 . 1 . . . . 51 ARG HA . 15249 1 632 . 1 1 51 51 ARG HB2 H 1 1.656 0.020 . 2 . . . . 51 ARG HB2 . 15249 1 633 . 1 1 51 51 ARG HB3 H 1 1.420 0.020 . 2 . . . . 51 ARG HB3 . 15249 1 634 . 1 1 51 51 ARG HD2 H 1 3.212 0.020 . 2 . . . . 51 ARG HD2 . 15249 1 635 . 1 1 51 51 ARG HD3 H 1 3.131 0.020 . 2 . . . . 51 ARG HD3 . 15249 1 636 . 1 1 51 51 ARG HG2 H 1 1.638 0.020 . 2 . . . . 51 ARG HG2 . 15249 1 637 . 1 1 51 51 ARG HG3 H 1 1.563 0.020 . 2 . . . . 51 ARG HG3 . 15249 1 638 . 1 1 51 51 ARG C C 13 174.399 0.300 . 1 . . . . 51 ARG C . 15249 1 639 . 1 1 51 51 ARG CA C 13 54.664 0.300 . 1 . . . . 51 ARG CA . 15249 1 640 . 1 1 51 51 ARG CB C 13 33.149 0.300 . 1 . . . . 51 ARG CB . 15249 1 641 . 1 1 51 51 ARG CD C 13 43.394 0.300 . 1 . . . . 51 ARG CD . 15249 1 642 . 1 1 51 51 ARG CG C 13 28.089 0.300 . 1 . . . . 51 ARG CG . 15249 1 643 . 1 1 51 51 ARG N N 15 123.861 0.300 . 1 . . . . 51 ARG N . 15249 1 644 . 1 1 52 52 ILE H H 1 8.086 0.020 . 1 . . . . 52 ILE H . 15249 1 645 . 1 1 52 52 ILE HA H 1 3.310 0.020 . 1 . . . . 52 ILE HA . 15249 1 646 . 1 1 52 52 ILE HB H 1 1.643 0.020 . 1 . . . . 52 ILE HB . 15249 1 647 . 1 1 52 52 ILE HD11 H 1 0.875 0.020 . 1 . . . . 52 ILE HD1 . 15249 1 648 . 1 1 52 52 ILE HD12 H 1 0.875 0.020 . 1 . . . . 52 ILE HD1 . 15249 1 649 . 1 1 52 52 ILE HD13 H 1 0.875 0.020 . 1 . . . . 52 ILE HD1 . 15249 1 650 . 1 1 52 52 ILE HG12 H 1 1.285 0.020 . 2 . . . . 52 ILE HG12 . 15249 1 651 . 1 1 52 52 ILE HG13 H 1 1.008 0.020 . 2 . . . . 52 ILE HG13 . 15249 1 652 . 1 1 52 52 ILE HG21 H 1 0.796 0.020 . 1 . . . . 52 ILE HG2 . 15249 1 653 . 1 1 52 52 ILE HG22 H 1 0.796 0.020 . 1 . . . . 52 ILE HG2 . 15249 1 654 . 1 1 52 52 ILE HG23 H 1 0.796 0.020 . 1 . . . . 52 ILE HG2 . 15249 1 655 . 1 1 52 52 ILE C C 13 174.668 0.300 . 1 . . . . 52 ILE C . 15249 1 656 . 1 1 52 52 ILE CA C 13 62.429 0.300 . 1 . . . . 52 ILE CA . 15249 1 657 . 1 1 52 52 ILE CB C 13 38.259 0.300 . 1 . . . . 52 ILE CB . 15249 1 658 . 1 1 52 52 ILE CD1 C 13 14.116 0.300 . 1 . . . . 52 ILE CD1 . 15249 1 659 . 1 1 52 52 ILE CG1 C 13 28.982 0.300 . 1 . . . . 52 ILE CG1 . 15249 1 660 . 1 1 52 52 ILE CG2 C 13 15.204 0.300 . 1 . . . . 52 ILE CG2 . 15249 1 661 . 1 1 52 52 ILE N N 15 123.663 0.300 . 1 . . . . 52 ILE N . 15249 1 662 . 1 1 53 53 GLY H H 1 8.546 0.020 . 1 . . . . 53 GLY H . 15249 1 663 . 1 1 53 53 GLY HA2 H 1 4.278 0.020 . 2 . . . . 53 GLY HA2 . 15249 1 664 . 1 1 53 53 GLY HA3 H 1 3.540 0.020 . 2 . . . . 53 GLY HA3 . 15249 1 665 . 1 1 53 53 GLY C C 13 174.371 0.300 . 1 . . . . 53 GLY C . 15249 1 666 . 1 1 53 53 GLY CA C 13 45.317 0.300 . 1 . . . . 53 GLY CA . 15249 1 667 . 1 1 53 53 GLY N N 15 111.784 0.300 . 1 . . . . 53 GLY N . 15249 1 668 . 1 1 54 54 GLU H H 1 7.623 0.020 . 1 . . . . 54 GLU H . 15249 1 669 . 1 1 54 54 GLU HA H 1 4.753 0.020 . 1 . . . . 54 GLU HA . 15249 1 670 . 1 1 54 54 GLU HB2 H 1 2.212 0.020 . 2 . . . . 54 GLU HB2 . 15249 1 671 . 1 1 54 54 GLU HB3 H 1 1.999 0.020 . 2 . . . . 54 GLU HB3 . 15249 1 672 . 1 1 54 54 GLU HG2 H 1 2.505 0.020 . 2 . . . . 54 GLU HG2 . 15249 1 673 . 1 1 54 54 GLU HG3 H 1 2.313 0.020 . 2 . . . . 54 GLU HG3 . 15249 1 674 . 1 1 54 54 GLU CA C 13 54.263 0.300 . 1 . . . . 54 GLU CA . 15249 1 675 . 1 1 54 54 GLU CB C 13 29.109 0.300 . 1 . . . . 54 GLU CB . 15249 1 676 . 1 1 54 54 GLU CG C 13 36.831 0.300 . 1 . . . . 54 GLU CG . 15249 1 677 . 1 1 54 54 GLU N N 15 121.173 0.300 . 1 . . . . 54 GLU N . 15249 1 678 . 1 1 55 55 PRO HA H 1 4.481 0.020 . 1 . . . . 55 PRO HA . 15249 1 679 . 1 1 55 55 PRO HB2 H 1 2.268 0.020 . 2 . . . . 55 PRO HB2 . 15249 1 680 . 1 1 55 55 PRO HB3 H 1 1.794 0.020 . 2 . . . . 55 PRO HB3 . 15249 1 681 . 1 1 55 55 PRO HD2 H 1 3.899 0.020 . 2 . . . . 55 PRO HD2 . 15249 1 682 . 1 1 55 55 PRO HD3 H 1 3.656 0.020 . 2 . . . . 55 PRO HD3 . 15249 1 683 . 1 1 55 55 PRO HG2 H 1 2.091 0.020 . 2 . . . . 55 PRO HG2 . 15249 1 684 . 1 1 55 55 PRO HG3 H 1 2.004 0.020 . 2 . . . . 55 PRO HG3 . 15249 1 685 . 1 1 55 55 PRO C C 13 177.562 0.300 . 1 . . . . 55 PRO C . 15249 1 686 . 1 1 55 55 PRO CA C 13 62.852 0.300 . 1 . . . . 55 PRO CA . 15249 1 687 . 1 1 55 55 PRO CB C 13 31.870 0.300 . 1 . . . . 55 PRO CB . 15249 1 688 . 1 1 55 55 PRO CD C 13 50.268 0.300 . 1 . . . . 55 PRO CD . 15249 1 689 . 1 1 55 55 PRO CG C 13 27.702 0.300 . 1 . . . . 55 PRO CG . 15249 1 690 . 1 1 56 56 GLY H H 1 9.289 0.020 . 1 . . . . 56 GLY H . 15249 1 691 . 1 1 56 56 GLY HA2 H 1 4.451 0.020 . 2 . . . . 56 GLY HA2 . 15249 1 692 . 1 1 56 56 GLY HA3 H 1 2.991 0.020 . 2 . . . . 56 GLY HA3 . 15249 1 693 . 1 1 56 56 GLY C C 13 172.129 0.300 . 1 . . . . 56 GLY C . 15249 1 694 . 1 1 56 56 GLY CA C 13 44.868 0.300 . 1 . . . . 56 GLY CA . 15249 1 695 . 1 1 56 56 GLY N N 15 109.616 0.300 . 1 . . . . 56 GLY N . 15249 1 696 . 1 1 57 57 ASP HA H 1 4.477 0.020 . 1 . . . . 57 ASP HA . 15249 1 697 . 1 1 57 57 ASP HB2 H 1 2.960 0.020 . 2 . . . . 57 ASP HB2 . 15249 1 698 . 1 1 57 57 ASP HB3 H 1 2.473 0.020 . 2 . . . . 57 ASP HB3 . 15249 1 699 . 1 1 57 57 ASP C C 13 174.683 0.300 . 1 . . . . 57 ASP C . 15249 1 700 . 1 1 57 57 ASP CA C 13 52.811 0.300 . 1 . . . . 57 ASP CA . 15249 1 701 . 1 1 57 57 ASP CB C 13 41.356 0.300 . 1 . . . . 57 ASP CB . 15249 1 702 . 1 1 58 58 ARG H H 1 6.983 0.020 . 1 . . . . 58 ARG H . 15249 1 703 . 1 1 58 58 ARG HA H 1 4.727 0.020 . 1 . . . . 58 ARG HA . 15249 1 704 . 1 1 58 58 ARG HB2 H 1 1.419 0.020 . 1 . . . . 58 ARG HB2 . 15249 1 705 . 1 1 58 58 ARG HB3 H 1 1.419 0.020 . 1 . . . . 58 ARG HB3 . 15249 1 706 . 1 1 58 58 ARG HD2 H 1 3.177 0.020 . 2 . . . . 58 ARG HD2 . 15249 1 707 . 1 1 58 58 ARG HD3 H 1 2.610 0.020 . 2 . . . . 58 ARG HD3 . 15249 1 708 . 1 1 58 58 ARG HE H 1 7.768 0.020 . 1 . . . . 58 ARG HE . 15249 1 709 . 1 1 58 58 ARG HG2 H 1 1.035 0.020 . 2 . . . . 58 ARG HG2 . 15249 1 710 . 1 1 58 58 ARG HG3 H 1 0.751 0.020 . 2 . . . . 58 ARG HG3 . 15249 1 711 . 1 1 58 58 ARG C C 13 172.966 0.300 . 1 . . . . 58 ARG C . 15249 1 712 . 1 1 58 58 ARG CA C 13 54.063 0.300 . 1 . . . . 58 ARG CA . 15249 1 713 . 1 1 58 58 ARG CB C 13 32.177 0.300 . 1 . . . . 58 ARG CB . 15249 1 714 . 1 1 58 58 ARG CD C 13 43.019 0.300 . 1 . . . . 58 ARG CD . 15249 1 715 . 1 1 58 58 ARG CG C 13 24.088 0.300 . 1 . . . . 58 ARG CG . 15249 1 716 . 1 1 58 58 ARG N N 15 113.336 0.300 . 1 . . . . 58 ARG N . 15249 1 717 . 1 1 58 58 ARG NE N 15 83.938 0.300 . 1 . . . . 58 ARG NE . 15249 1 718 . 1 1 59 59 MET H H 1 8.478 0.020 . 1 . . . . 59 MET H . 15249 1 719 . 1 1 59 59 MET HA H 1 4.424 0.020 . 1 . . . . 59 MET HA . 15249 1 720 . 1 1 59 59 MET HB2 H 1 1.795 0.020 . 1 . . . . 59 MET HB2 . 15249 1 721 . 1 1 59 59 MET HB3 H 1 1.795 0.020 . 1 . . . . 59 MET HB3 . 15249 1 722 . 1 1 59 59 MET HE1 H 1 0.951 0.020 . 1 . . . . 59 MET HE . 15249 1 723 . 1 1 59 59 MET HE2 H 1 0.951 0.020 . 1 . . . . 59 MET HE . 15249 1 724 . 1 1 59 59 MET HE3 H 1 0.951 0.020 . 1 . . . . 59 MET HE . 15249 1 725 . 1 1 59 59 MET HG2 H 1 1.648 0.020 . 2 . . . . 59 MET HG2 . 15249 1 726 . 1 1 59 59 MET HG3 H 1 1.610 0.020 . 2 . . . . 59 MET HG3 . 15249 1 727 . 1 1 59 59 MET C C 13 172.598 0.300 . 1 . . . . 59 MET C . 15249 1 728 . 1 1 59 59 MET CA C 13 53.886 0.300 . 1 . . . . 59 MET CA . 15249 1 729 . 1 1 59 59 MET CB C 13 32.033 0.300 . 1 . . . . 59 MET CB . 15249 1 730 . 1 1 59 59 MET CE C 13 17.480 0.300 . 1 . . . . 59 MET CE . 15249 1 731 . 1 1 59 59 MET CG C 13 29.819 0.300 . 1 . . . . 59 MET CG . 15249 1 732 . 1 1 59 59 MET N N 15 117.748 0.300 . 1 . . . . 59 MET N . 15249 1 733 . 1 1 60 60 PHE H H 1 8.444 0.020 . 1 . . . . 60 PHE H . 15249 1 734 . 1 1 60 60 PHE HA H 1 5.273 0.020 . 1 . . . . 60 PHE HA . 15249 1 735 . 1 1 60 60 PHE HB2 H 1 2.239 0.020 . 2 . . . . 60 PHE HB2 . 15249 1 736 . 1 1 60 60 PHE HB3 H 1 0.877 0.020 . 2 . . . . 60 PHE HB3 . 15249 1 737 . 1 1 60 60 PHE HD1 H 1 6.546 0.020 . 1 . . . . 60 PHE HD1 . 15249 1 738 . 1 1 60 60 PHE HD2 H 1 6.546 0.020 . 1 . . . . 60 PHE HD2 . 15249 1 739 . 1 1 60 60 PHE HE1 H 1 6.983 0.020 . 1 . . . . 60 PHE HE1 . 15249 1 740 . 1 1 60 60 PHE HZ H 1 6.468 0.020 . 1 . . . . 60 PHE HZ . 15249 1 741 . 1 1 60 60 PHE C C 13 173.475 0.300 . 1 . . . . 60 PHE C . 15249 1 742 . 1 1 60 60 PHE CA C 13 56.512 0.300 . 1 . . . . 60 PHE CA . 15249 1 743 . 1 1 60 60 PHE CB C 13 43.973 0.300 . 1 . . . . 60 PHE CB . 15249 1 744 . 1 1 60 60 PHE CD1 C 13 132.985 0.300 . 1 . . . . 60 PHE CD1 . 15249 1 745 . 1 1 60 60 PHE CD2 C 13 132.985 0.300 . 1 . . . . 60 PHE CD2 . 15249 1 746 . 1 1 60 60 PHE CE1 C 13 129.973 0.300 . 1 . . . . 60 PHE CE1 . 15249 1 747 . 1 1 60 60 PHE CZ C 13 129.893 0.300 . 1 . . . . 60 PHE CZ . 15249 1 748 . 1 1 60 60 PHE N N 15 114.200 0.300 . 1 . . . . 60 PHE N . 15249 1 749 . 1 1 61 61 PHE H H 1 9.305 0.020 . 1 . . . . 61 PHE H . 15249 1 750 . 1 1 61 61 PHE HA H 1 5.134 0.020 . 1 . . . . 61 PHE HA . 15249 1 751 . 1 1 61 61 PHE HB2 H 1 3.035 0.020 . 2 . . . . 61 PHE HB2 . 15249 1 752 . 1 1 61 61 PHE HB3 H 1 2.907 0.020 . 2 . . . . 61 PHE HB3 . 15249 1 753 . 1 1 61 61 PHE HD1 H 1 7.197 0.020 . 1 . . . . 61 PHE HD1 . 15249 1 754 . 1 1 61 61 PHE HD2 H 1 7.197 0.020 . 1 . . . . 61 PHE HD2 . 15249 1 755 . 1 1 61 61 PHE HE1 H 1 7.047 0.020 . 1 . . . . 61 PHE HE1 . 15249 1 756 . 1 1 61 61 PHE HE2 H 1 7.047 0.020 . 1 . . . . 61 PHE HE2 . 15249 1 757 . 1 1 61 61 PHE HZ H 1 6.751 0.020 . 1 . . . . 61 PHE HZ . 15249 1 758 . 1 1 61 61 PHE C C 13 175.590 0.300 . 1 . . . . 61 PHE C . 15249 1 759 . 1 1 61 61 PHE CA C 13 56.359 0.300 . 1 . . . . 61 PHE CA . 15249 1 760 . 1 1 61 61 PHE CB C 13 41.272 0.300 . 1 . . . . 61 PHE CB . 15249 1 761 . 1 1 61 61 PHE CD1 C 13 132.873 0.300 . 1 . . . . 61 PHE CD1 . 15249 1 762 . 1 1 61 61 PHE CD2 C 13 132.873 0.300 . 1 . . . . 61 PHE CD2 . 15249 1 763 . 1 1 61 61 PHE CE1 C 13 130.367 0.300 . 1 . . . . 61 PHE CE1 . 15249 1 764 . 1 1 61 61 PHE CE2 C 13 130.367 0.300 . 1 . . . . 61 PHE CE2 . 15249 1 765 . 1 1 61 61 PHE CZ C 13 128.036 0.300 . 1 . . . . 61 PHE CZ . 15249 1 766 . 1 1 61 61 PHE N N 15 117.314 0.300 . 1 . . . . 61 PHE N . 15249 1 767 . 1 1 62 62 VAL H H 1 9.145 0.020 . 1 . . . . 62 VAL H . 15249 1 768 . 1 1 62 62 VAL HA H 1 3.991 0.020 . 1 . . . . 62 VAL HA . 15249 1 769 . 1 1 62 62 VAL HB H 1 2.326 0.020 . 1 . . . . 62 VAL HB . 15249 1 770 . 1 1 62 62 VAL HG11 H 1 0.876 0.020 . 1 . . . . 62 VAL HG1 . 15249 1 771 . 1 1 62 62 VAL HG12 H 1 0.876 0.020 . 1 . . . . 62 VAL HG1 . 15249 1 772 . 1 1 62 62 VAL HG13 H 1 0.876 0.020 . 1 . . . . 62 VAL HG1 . 15249 1 773 . 1 1 62 62 VAL HG21 H 1 0.642 0.020 . 1 . . . . 62 VAL HG2 . 15249 1 774 . 1 1 62 62 VAL HG22 H 1 0.642 0.020 . 1 . . . . 62 VAL HG2 . 15249 1 775 . 1 1 62 62 VAL HG23 H 1 0.642 0.020 . 1 . . . . 62 VAL HG2 . 15249 1 776 . 1 1 62 62 VAL C C 13 175.704 0.300 . 1 . . . . 62 VAL C . 15249 1 777 . 1 1 62 62 VAL CA C 13 63.627 0.300 . 1 . . . . 62 VAL CA . 15249 1 778 . 1 1 62 62 VAL CB C 13 31.709 0.300 . 1 . . . . 62 VAL CB . 15249 1 779 . 1 1 62 62 VAL CG1 C 13 21.555 0.300 . 1 . . . . 62 VAL CG1 . 15249 1 780 . 1 1 62 62 VAL CG2 C 13 22.354 0.300 . 1 . . . . 62 VAL CG2 . 15249 1 781 . 1 1 62 62 VAL N N 15 123.650 0.300 . 1 . . . . 62 VAL N . 15249 1 782 . 1 1 63 63 VAL H H 1 8.944 0.020 . 1 . . . . 63 VAL H . 15249 1 783 . 1 1 63 63 VAL HA H 1 4.184 0.020 . 1 . . . . 63 VAL HA . 15249 1 784 . 1 1 63 63 VAL HB H 1 1.988 0.020 . 1 . . . . 63 VAL HB . 15249 1 785 . 1 1 63 63 VAL HG11 H 1 0.956 0.020 . 1 . . . . 63 VAL HG1 . 15249 1 786 . 1 1 63 63 VAL HG12 H 1 0.956 0.020 . 1 . . . . 63 VAL HG1 . 15249 1 787 . 1 1 63 63 VAL HG13 H 1 0.956 0.020 . 1 . . . . 63 VAL HG1 . 15249 1 788 . 1 1 63 63 VAL HG21 H 1 0.829 0.020 . 1 . . . . 63 VAL HG2 . 15249 1 789 . 1 1 63 63 VAL HG22 H 1 0.829 0.020 . 1 . . . . 63 VAL HG2 . 15249 1 790 . 1 1 63 63 VAL HG23 H 1 0.829 0.020 . 1 . . . . 63 VAL HG2 . 15249 1 791 . 1 1 63 63 VAL C C 13 175.193 0.300 . 1 . . . . 63 VAL C . 15249 1 792 . 1 1 63 63 VAL CA C 13 64.118 0.300 . 1 . . . . 63 VAL CA . 15249 1 793 . 1 1 63 63 VAL CB C 13 32.508 0.300 . 1 . . . . 63 VAL CB . 15249 1 794 . 1 1 63 63 VAL CG1 C 13 21.831 0.300 . 1 . . . . 63 VAL CG1 . 15249 1 795 . 1 1 63 63 VAL CG2 C 13 21.685 0.300 . 1 . . . . 63 VAL CG2 . 15249 1 796 . 1 1 63 63 VAL N N 15 127.583 0.300 . 1 . . . . 63 VAL N . 15249 1 797 . 1 1 64 64 GLU H H 1 7.603 0.020 . 1 . . . . 64 GLU H . 15249 1 798 . 1 1 64 64 GLU HA H 1 4.472 0.020 . 1 . . . . 64 GLU HA . 15249 1 799 . 1 1 64 64 GLU HB2 H 1 1.998 0.020 . 2 . . . . 64 GLU HB2 . 15249 1 800 . 1 1 64 64 GLU HB3 H 1 1.949 0.020 . 2 . . . . 64 GLU HB3 . 15249 1 801 . 1 1 64 64 GLU HG2 H 1 2.277 0.020 . 2 . . . . 64 GLU HG2 . 15249 1 802 . 1 1 64 64 GLU HG3 H 1 2.239 0.020 . 2 . . . . 64 GLU HG3 . 15249 1 803 . 1 1 64 64 GLU C C 13 174.200 0.300 . 1 . . . . 64 GLU C . 15249 1 804 . 1 1 64 64 GLU CA C 13 56.169 0.300 . 1 . . . . 64 GLU CA . 15249 1 805 . 1 1 64 64 GLU CB C 13 34.144 0.300 . 1 . . . . 64 GLU CB . 15249 1 806 . 1 1 64 64 GLU CG C 13 31.852 0.300 . 1 . . . . 64 GLU CG . 15249 1 807 . 1 1 64 64 GLU N N 15 117.025 0.300 . 1 . . . . 64 GLU N . 15249 1 808 . 1 1 65 65 GLY H H 1 8.461 0.020 . 1 . . . . 65 GLY H . 15249 1 809 . 1 1 65 65 GLY HA2 H 1 4.568 0.020 . 2 . . . . 65 GLY HA2 . 15249 1 810 . 1 1 65 65 GLY HA3 H 1 3.643 0.020 . 2 . . . . 65 GLY HA3 . 15249 1 811 . 1 1 65 65 GLY C C 13 170.373 0.300 . 1 . . . . 65 GLY C . 15249 1 812 . 1 1 65 65 GLY CA C 13 44.267 0.300 . 1 . . . . 65 GLY CA . 15249 1 813 . 1 1 65 65 GLY N N 15 112.434 0.300 . 1 . . . . 65 GLY N . 15249 1 814 . 1 1 66 66 SER H H 1 7.289 0.020 . 1 . . . . 66 SER H . 15249 1 815 . 1 1 66 66 SER HA H 1 5.465 0.020 . 1 . . . . 66 SER HA . 15249 1 816 . 1 1 66 66 SER HB2 H 1 3.674 0.020 . 2 . . . . 66 SER HB2 . 15249 1 817 . 1 1 66 66 SER HB3 H 1 3.537 0.020 . 2 . . . . 66 SER HB3 . 15249 1 818 . 1 1 66 66 SER C C 13 174.371 0.300 . 1 . . . . 66 SER C . 15249 1 819 . 1 1 66 66 SER CA C 13 56.364 0.300 . 1 . . . . 66 SER CA . 15249 1 820 . 1 1 66 66 SER CB C 13 66.326 0.300 . 1 . . . . 66 SER CB . 15249 1 821 . 1 1 66 66 SER N N 15 106.664 0.300 . 1 . . . . 66 SER N . 15249 1 822 . 1 1 67 67 VAL H H 1 8.848 0.020 . 1 . . . . 67 VAL H . 15249 1 823 . 1 1 67 67 VAL HA H 1 4.871 0.020 . 1 . . . . 67 VAL HA . 15249 1 824 . 1 1 67 67 VAL HB H 1 1.650 0.020 . 1 . . . . 67 VAL HB . 15249 1 825 . 1 1 67 67 VAL HG11 H 1 0.588 0.020 . 1 . . . . 67 VAL HG1 . 15249 1 826 . 1 1 67 67 VAL HG12 H 1 0.588 0.020 . 1 . . . . 67 VAL HG1 . 15249 1 827 . 1 1 67 67 VAL HG13 H 1 0.588 0.020 . 1 . . . . 67 VAL HG1 . 15249 1 828 . 1 1 67 67 VAL HG21 H 1 0.301 0.020 . 1 . . . . 67 VAL HG2 . 15249 1 829 . 1 1 67 67 VAL HG22 H 1 0.301 0.020 . 1 . . . . 67 VAL HG2 . 15249 1 830 . 1 1 67 67 VAL HG23 H 1 0.301 0.020 . 1 . . . . 67 VAL HG2 . 15249 1 831 . 1 1 67 67 VAL C C 13 173.605 0.300 . 1 . . . . 67 VAL C . 15249 1 832 . 1 1 67 67 VAL CA C 13 58.543 0.300 . 1 . . . . 67 VAL CA . 15249 1 833 . 1 1 67 67 VAL CB C 13 33.758 0.300 . 1 . . . . 67 VAL CB . 15249 1 834 . 1 1 67 67 VAL CG1 C 13 22.413 0.300 . 1 . . . . 67 VAL CG1 . 15249 1 835 . 1 1 67 67 VAL CG2 C 13 19.296 0.300 . 1 . . . . 67 VAL CG2 . 15249 1 836 . 1 1 67 67 VAL N N 15 113.035 0.300 . 1 . . . . 67 VAL N . 15249 1 837 . 1 1 68 68 SER H H 1 9.097 0.020 . 1 . . . . 68 SER H . 15249 1 838 . 1 1 68 68 SER HA H 1 4.876 0.020 . 1 . . . . 68 SER HA . 15249 1 839 . 1 1 68 68 SER HB2 H 1 3.490 0.020 . 2 . . . . 68 SER HB2 . 15249 1 840 . 1 1 68 68 SER HB3 H 1 3.408 0.020 . 2 . . . . 68 SER HB3 . 15249 1 841 . 1 1 68 68 SER C C 13 173.576 0.300 . 1 . . . . 68 SER C . 15249 1 842 . 1 1 68 68 SER CA C 13 56.295 0.300 . 1 . . . . 68 SER CA . 15249 1 843 . 1 1 68 68 SER CB C 13 63.987 0.300 . 1 . . . . 68 SER CB . 15249 1 844 . 1 1 68 68 SER N N 15 115.350 0.300 . 1 . . . . 68 SER N . 15249 1 845 . 1 1 69 69 VAL H H 1 9.239 0.020 . 1 . . . . 69 VAL H . 15249 1 846 . 1 1 69 69 VAL HA H 1 3.942 0.020 . 1 . . . . 69 VAL HA . 15249 1 847 . 1 1 69 69 VAL HB H 1 1.673 0.020 . 1 . . . . 69 VAL HB . 15249 1 848 . 1 1 69 69 VAL HG11 H 1 0.515 0.020 . 1 . . . . 69 VAL HG1 . 15249 1 849 . 1 1 69 69 VAL HG12 H 1 0.515 0.020 . 1 . . . . 69 VAL HG1 . 15249 1 850 . 1 1 69 69 VAL HG13 H 1 0.515 0.020 . 1 . . . . 69 VAL HG1 . 15249 1 851 . 1 1 69 69 VAL HG21 H 1 -0.225 0.020 . 1 . . . . 69 VAL HG2 . 15249 1 852 . 1 1 69 69 VAL HG22 H 1 -0.225 0.020 . 1 . . . . 69 VAL HG2 . 15249 1 853 . 1 1 69 69 VAL HG23 H 1 -0.225 0.020 . 1 . . . . 69 VAL HG2 . 15249 1 854 . 1 1 69 69 VAL C C 13 176.002 0.300 . 1 . . . . 69 VAL C . 15249 1 855 . 1 1 69 69 VAL CA C 13 61.244 0.300 . 1 . . . . 69 VAL CA . 15249 1 856 . 1 1 69 69 VAL CB C 13 31.654 0.300 . 1 . . . . 69 VAL CB . 15249 1 857 . 1 1 69 69 VAL CG1 C 13 19.515 0.300 . 1 . . . . 69 VAL CG1 . 15249 1 858 . 1 1 69 69 VAL CG2 C 13 20.607 0.300 . 1 . . . . 69 VAL CG2 . 15249 1 859 . 1 1 69 69 VAL N N 15 128.952 0.300 . 1 . . . . 69 VAL N . 15249 1 860 . 1 1 70 70 ALA H H 1 8.610 0.020 . 1 . . . . 70 ALA H . 15249 1 861 . 1 1 70 70 ALA HA H 1 4.458 0.020 . 1 . . . . 70 ALA HA . 15249 1 862 . 1 1 70 70 ALA HB1 H 1 1.288 0.020 . 1 . . . . 70 ALA HB . 15249 1 863 . 1 1 70 70 ALA HB2 H 1 1.288 0.020 . 1 . . . . 70 ALA HB . 15249 1 864 . 1 1 70 70 ALA HB3 H 1 1.288 0.020 . 1 . . . . 70 ALA HB . 15249 1 865 . 1 1 70 70 ALA C C 13 179.363 0.300 . 1 . . . . 70 ALA C . 15249 1 866 . 1 1 70 70 ALA CA C 13 52.002 0.300 . 1 . . . . 70 ALA CA . 15249 1 867 . 1 1 70 70 ALA CB C 13 16.532 0.300 . 1 . . . . 70 ALA CB . 15249 1 868 . 1 1 70 70 ALA N N 15 131.527 0.300 . 1 . . . . 70 ALA N . 15249 1 869 . 1 1 71 71 THR H H 1 7.974 0.020 . 1 . . . . 71 THR H . 15249 1 870 . 1 1 71 71 THR HA H 1 4.376 0.020 . 1 . . . . 71 THR HA . 15249 1 871 . 1 1 71 71 THR HB H 1 4.353 0.020 . 1 . . . . 71 THR HB . 15249 1 872 . 1 1 71 71 THR HG21 H 1 0.782 0.020 . 1 . . . . 71 THR HG2 . 15249 1 873 . 1 1 71 71 THR HG22 H 1 0.782 0.020 . 1 . . . . 71 THR HG2 . 15249 1 874 . 1 1 71 71 THR HG23 H 1 0.782 0.020 . 1 . . . . 71 THR HG2 . 15249 1 875 . 1 1 71 71 THR CA C 13 61.056 0.300 . 1 . . . . 71 THR CA . 15249 1 876 . 1 1 71 71 THR CB C 13 66.204 0.300 . 1 . . . . 71 THR CB . 15249 1 877 . 1 1 71 71 THR CG2 C 13 23.538 0.300 . 1 . . . . 71 THR CG2 . 15249 1 878 . 1 1 71 71 THR N N 15 114.784 0.300 . 1 . . . . 71 THR N . 15249 1 879 . 1 1 72 72 PRO HA H 1 4.039 0.020 . 1 . . . . 72 PRO HA . 15249 1 880 . 1 1 72 72 PRO HB2 H 1 2.313 0.020 . 2 . . . . 72 PRO HB2 . 15249 1 881 . 1 1 72 72 PRO HB3 H 1 1.798 0.020 . 2 . . . . 72 PRO HB3 . 15249 1 882 . 1 1 72 72 PRO HD2 H 1 3.801 0.020 . 2 . . . . 72 PRO HD2 . 15249 1 883 . 1 1 72 72 PRO HD3 H 1 3.722 0.020 . 2 . . . . 72 PRO HD3 . 15249 1 884 . 1 1 72 72 PRO HG2 H 1 1.977 0.020 . 1 . . . . 72 PRO HG2 . 15249 1 885 . 1 1 72 72 PRO HG3 H 1 1.977 0.020 . 1 . . . . 72 PRO HG3 . 15249 1 886 . 1 1 72 72 PRO C C 13 177.732 0.300 . 1 . . . . 72 PRO C . 15249 1 887 . 1 1 72 72 PRO CA C 13 66.587 0.300 . 1 . . . . 72 PRO CA . 15249 1 888 . 1 1 72 72 PRO CB C 13 31.579 0.300 . 1 . . . . 72 PRO CB . 15249 1 889 . 1 1 72 72 PRO CD C 13 50.673 0.300 . 1 . . . . 72 PRO CD . 15249 1 890 . 1 1 72 72 PRO CG C 13 27.381 0.300 . 1 . . . . 72 PRO CG . 15249 1 891 . 1 1 73 73 ASN H H 1 7.573 0.020 . 1 . . . . 73 ASN H . 15249 1 892 . 1 1 73 73 ASN HA H 1 5.211 0.020 . 1 . . . . 73 ASN HA . 15249 1 893 . 1 1 73 73 ASN HB2 H 1 2.675 0.020 . 2 . . . . 73 ASN HB2 . 15249 1 894 . 1 1 73 73 ASN HB3 H 1 2.624 0.020 . 2 . . . . 73 ASN HB3 . 15249 1 895 . 1 1 73 73 ASN HD21 H 1 7.532 0.020 . 2 . . . . 73 ASN HD21 . 15249 1 896 . 1 1 73 73 ASN HD22 H 1 6.877 0.020 . 2 . . . . 73 ASN HD22 . 15249 1 897 . 1 1 73 73 ASN CA C 13 50.288 0.300 . 1 . . . . 73 ASN CA . 15249 1 898 . 1 1 73 73 ASN CB C 13 38.680 0.300 . 1 . . . . 73 ASN CB . 15249 1 899 . 1 1 73 73 ASN N N 15 113.313 0.300 . 1 . . . . 73 ASN N . 15249 1 900 . 1 1 73 73 ASN ND2 N 15 113.386 0.300 . 1 . . . . 73 ASN ND2 . 15249 1 901 . 1 1 74 74 PRO HA H 1 4.460 0.020 . 1 . . . . 74 PRO HA . 15249 1 902 . 1 1 74 74 PRO HB2 H 1 2.153 0.020 . 2 . . . . 74 PRO HB2 . 15249 1 903 . 1 1 74 74 PRO HB3 H 1 1.722 0.020 . 2 . . . . 74 PRO HB3 . 15249 1 904 . 1 1 74 74 PRO HD2 H 1 3.771 0.020 . 2 . . . . 74 PRO HD2 . 15249 1 905 . 1 1 74 74 PRO HD3 H 1 3.702 0.020 . 2 . . . . 74 PRO HD3 . 15249 1 906 . 1 1 74 74 PRO HG2 H 1 1.942 0.020 . 2 . . . . 74 PRO HG2 . 15249 1 907 . 1 1 74 74 PRO HG3 H 1 1.913 0.020 . 2 . . . . 74 PRO HG3 . 15249 1 908 . 1 1 74 74 PRO C C 13 176.030 0.300 . 1 . . . . 74 PRO C . 15249 1 909 . 1 1 74 74 PRO CA C 13 64.058 0.300 . 1 . . . . 74 PRO CA . 15249 1 910 . 1 1 74 74 PRO CB C 13 32.789 0.300 . 1 . . . . 74 PRO CB . 15249 1 911 . 1 1 74 74 PRO CD C 13 51.549 0.300 . 1 . . . . 74 PRO CD . 15249 1 912 . 1 1 74 74 PRO CG C 13 27.097 0.300 . 1 . . . . 74 PRO CG . 15249 1 913 . 1 1 75 75 VAL H H 1 7.784 0.020 . 1 . . . . 75 VAL H . 15249 1 914 . 1 1 75 75 VAL HA H 1 4.275 0.020 . 1 . . . . 75 VAL HA . 15249 1 915 . 1 1 75 75 VAL HB H 1 1.533 0.020 . 1 . . . . 75 VAL HB . 15249 1 916 . 1 1 75 75 VAL HG11 H 1 0.841 0.020 . 1 . . . . 75 VAL HG1 . 15249 1 917 . 1 1 75 75 VAL HG12 H 1 0.841 0.020 . 1 . . . . 75 VAL HG1 . 15249 1 918 . 1 1 75 75 VAL HG13 H 1 0.841 0.020 . 1 . . . . 75 VAL HG1 . 15249 1 919 . 1 1 75 75 VAL HG21 H 1 0.812 0.020 . 1 . . . . 75 VAL HG2 . 15249 1 920 . 1 1 75 75 VAL HG22 H 1 0.812 0.020 . 1 . . . . 75 VAL HG2 . 15249 1 921 . 1 1 75 75 VAL HG23 H 1 0.812 0.020 . 1 . . . . 75 VAL HG2 . 15249 1 922 . 1 1 75 75 VAL C C 13 173.817 0.300 . 1 . . . . 75 VAL C . 15249 1 923 . 1 1 75 75 VAL CA C 13 60.620 0.300 . 1 . . . . 75 VAL CA . 15249 1 924 . 1 1 75 75 VAL CB C 13 36.021 0.300 . 1 . . . . 75 VAL CB . 15249 1 925 . 1 1 75 75 VAL CG1 C 13 21.326 0.300 . 1 . . . . 75 VAL CG1 . 15249 1 926 . 1 1 75 75 VAL CG2 C 13 20.402 0.300 . 1 . . . . 75 VAL CG2 . 15249 1 927 . 1 1 75 75 VAL N N 15 120.154 0.300 . 1 . . . . 75 VAL N . 15249 1 928 . 1 1 76 76 GLU H H 1 8.412 0.020 . 1 . . . . 76 GLU H . 15249 1 929 . 1 1 76 76 GLU HA H 1 5.248 0.020 . 1 . . . . 76 GLU HA . 15249 1 930 . 1 1 76 76 GLU HB2 H 1 1.842 0.020 . 2 . . . . 76 GLU HB2 . 15249 1 931 . 1 1 76 76 GLU HB3 H 1 1.791 0.020 . 2 . . . . 76 GLU HB3 . 15249 1 932 . 1 1 76 76 GLU HG2 H 1 2.116 0.020 . 2 . . . . 76 GLU HG2 . 15249 1 933 . 1 1 76 76 GLU HG3 H 1 1.941 0.020 . 2 . . . . 76 GLU HG3 . 15249 1 934 . 1 1 76 76 GLU C C 13 175.860 0.300 . 1 . . . . 76 GLU C . 15249 1 935 . 1 1 76 76 GLU CA C 13 54.541 0.300 . 1 . . . . 76 GLU CA . 15249 1 936 . 1 1 76 76 GLU CB C 13 31.917 0.300 . 1 . . . . 76 GLU CB . 15249 1 937 . 1 1 76 76 GLU CG C 13 36.827 0.300 . 1 . . . . 76 GLU CG . 15249 1 938 . 1 1 76 76 GLU N N 15 125.985 0.300 . 1 . . . . 76 GLU N . 15249 1 939 . 1 1 77 77 LEU H H 1 8.582 0.020 . 1 . . . . 77 LEU H . 15249 1 940 . 1 1 77 77 LEU HA H 1 4.682 0.020 . 1 . . . . 77 LEU HA . 15249 1 941 . 1 1 77 77 LEU HB2 H 1 1.582 0.020 . 2 . . . . 77 LEU HB2 . 15249 1 942 . 1 1 77 77 LEU HB3 H 1 1.551 0.020 . 2 . . . . 77 LEU HB3 . 15249 1 943 . 1 1 77 77 LEU HD11 H 1 0.912 0.020 . 1 . . . . 77 LEU HD1 . 15249 1 944 . 1 1 77 77 LEU HD12 H 1 0.912 0.020 . 1 . . . . 77 LEU HD1 . 15249 1 945 . 1 1 77 77 LEU HD13 H 1 0.912 0.020 . 1 . . . . 77 LEU HD1 . 15249 1 946 . 1 1 77 77 LEU HD21 H 1 0.865 0.020 . 1 . . . . 77 LEU HD2 . 15249 1 947 . 1 1 77 77 LEU HD22 H 1 0.865 0.020 . 1 . . . . 77 LEU HD2 . 15249 1 948 . 1 1 77 77 LEU HD23 H 1 0.865 0.020 . 1 . . . . 77 LEU HD2 . 15249 1 949 . 1 1 77 77 LEU HG H 1 1.361 0.020 . 1 . . . . 77 LEU HG . 15249 1 950 . 1 1 77 77 LEU C C 13 175.293 0.300 . 1 . . . . 77 LEU C . 15249 1 951 . 1 1 77 77 LEU CA C 13 53.372 0.300 . 1 . . . . 77 LEU CA . 15249 1 952 . 1 1 77 77 LEU CB C 13 43.752 0.300 . 1 . . . . 77 LEU CB . 15249 1 953 . 1 1 77 77 LEU CD1 C 13 23.191 0.300 . 1 . . . . 77 LEU CD1 . 15249 1 954 . 1 1 77 77 LEU CD2 C 13 26.207 0.300 . 1 . . . . 77 LEU CD2 . 15249 1 955 . 1 1 77 77 LEU CG C 13 26.341 0.300 . 1 . . . . 77 LEU CG . 15249 1 956 . 1 1 77 77 LEU N N 15 124.585 0.300 . 1 . . . . 77 LEU N . 15249 1 957 . 1 1 78 78 GLY H H 1 8.193 0.020 . 1 . . . . 78 GLY H . 15249 1 958 . 1 1 78 78 GLY HA2 H 1 5.010 0.020 . 2 . . . . 78 GLY HA2 . 15249 1 959 . 1 1 78 78 GLY HA3 H 1 3.735 0.020 . 2 . . . . 78 GLY HA3 . 15249 1 960 . 1 1 78 78 GLY CA C 13 43.418 0.300 . 1 . . . . 78 GLY CA . 15249 1 961 . 1 1 78 78 GLY N N 15 110.549 0.300 . 1 . . . . 78 GLY N . 15249 1 962 . 1 1 79 79 PRO HA H 1 3.870 0.020 . 1 . . . . 79 PRO HA . 15249 1 963 . 1 1 79 79 PRO HB2 H 1 2.331 0.020 . 1 . . . . 79 PRO HB2 . 15249 1 964 . 1 1 79 79 PRO HB3 H 1 2.331 0.020 . 1 . . . . 79 PRO HB3 . 15249 1 965 . 1 1 79 79 PRO HD2 H 1 4.007 0.020 . 2 . . . . 79 PRO HD2 . 15249 1 966 . 1 1 79 79 PRO HD3 H 1 3.440 0.020 . 2 . . . . 79 PRO HD3 . 15249 1 967 . 1 1 79 79 PRO HG2 H 1 2.236 0.020 . 2 . . . . 79 PRO HG2 . 15249 1 968 . 1 1 79 79 PRO HG3 H 1 1.889 0.020 . 2 . . . . 79 PRO HG3 . 15249 1 969 . 1 1 79 79 PRO C C 13 178.115 0.300 . 1 . . . . 79 PRO C . 15249 1 970 . 1 1 79 79 PRO CA C 13 64.077 0.300 . 1 . . . . 79 PRO CA . 15249 1 971 . 1 1 79 79 PRO CB C 13 31.861 0.300 . 1 . . . . 79 PRO CB . 15249 1 972 . 1 1 79 79 PRO CD C 13 49.544 0.300 . 1 . . . . 79 PRO CD . 15249 1 973 . 1 1 79 79 PRO CG C 13 28.832 0.300 . 1 . . . . 79 PRO CG . 15249 1 974 . 1 1 80 80 GLY H H 1 9.354 0.020 . 1 . . . . 80 GLY H . 15249 1 975 . 1 1 80 80 GLY HA2 H 1 4.615 0.020 . 2 . . . . 80 GLY HA2 . 15249 1 976 . 1 1 80 80 GLY HA3 H 1 3.841 0.020 . 2 . . . . 80 GLY HA3 . 15249 1 977 . 1 1 80 80 GLY C C 13 173.590 0.300 . 1 . . . . 80 GLY C . 15249 1 978 . 1 1 80 80 GLY CA C 13 45.581 0.300 . 1 . . . . 80 GLY CA . 15249 1 979 . 1 1 80 80 GLY N N 15 114.416 0.300 . 1 . . . . 80 GLY N . 15249 1 980 . 1 1 81 81 ALA H H 1 8.279 0.020 . 1 . . . . 81 ALA H . 15249 1 981 . 1 1 81 81 ALA HA H 1 4.578 0.020 . 1 . . . . 81 ALA HA . 15249 1 982 . 1 1 81 81 ALA HB1 H 1 1.602 0.020 . 1 . . . . 81 ALA HB . 15249 1 983 . 1 1 81 81 ALA HB2 H 1 1.602 0.020 . 1 . . . . 81 ALA HB . 15249 1 984 . 1 1 81 81 ALA HB3 H 1 1.602 0.020 . 1 . . . . 81 ALA HB . 15249 1 985 . 1 1 81 81 ALA C C 13 176.115 0.300 . 1 . . . . 81 ALA C . 15249 1 986 . 1 1 81 81 ALA CA C 13 51.306 0.300 . 1 . . . . 81 ALA CA . 15249 1 987 . 1 1 81 81 ALA CB C 13 22.645 0.300 . 1 . . . . 81 ALA CB . 15249 1 988 . 1 1 81 81 ALA N N 15 122.014 0.300 . 1 . . . . 81 ALA N . 15249 1 989 . 1 1 82 82 PHE H H 1 7.883 0.020 . 1 . . . . 82 PHE H . 15249 1 990 . 1 1 82 82 PHE HA H 1 5.758 0.020 . 1 . . . . 82 PHE HA . 15249 1 991 . 1 1 82 82 PHE HB2 H 1 2.700 0.020 . 2 . . . . 82 PHE HB2 . 15249 1 992 . 1 1 82 82 PHE HB3 H 1 2.538 0.020 . 2 . . . . 82 PHE HB3 . 15249 1 993 . 1 1 82 82 PHE HD1 H 1 7.120 0.020 . 1 . . . . 82 PHE HD1 . 15249 1 994 . 1 1 82 82 PHE HD2 H 1 7.120 0.020 . 1 . . . . 82 PHE HD2 . 15249 1 995 . 1 1 82 82 PHE C C 13 174.073 0.300 . 1 . . . . 82 PHE C . 15249 1 996 . 1 1 82 82 PHE CA C 13 54.191 0.300 . 1 . . . . 82 PHE CA . 15249 1 997 . 1 1 82 82 PHE CB C 13 43.387 0.300 . 1 . . . . 82 PHE CB . 15249 1 998 . 1 1 82 82 PHE CD1 C 13 133.590 0.300 . 1 . . . . 82 PHE CD1 . 15249 1 999 . 1 1 82 82 PHE CD2 C 13 133.590 0.300 . 1 . . . . 82 PHE CD2 . 15249 1 1000 . 1 1 82 82 PHE N N 15 112.716 0.300 . 1 . . . . 82 PHE N . 15249 1 1001 . 1 1 83 83 PHE H H 1 8.892 0.020 . 1 . . . . 83 PHE H . 15249 1 1002 . 1 1 83 83 PHE HA H 1 5.634 0.020 . 1 . . . . 83 PHE HA . 15249 1 1003 . 1 1 83 83 PHE HB2 H 1 3.221 0.020 . 2 . . . . 83 PHE HB2 . 15249 1 1004 . 1 1 83 83 PHE HB3 H 1 3.136 0.020 . 2 . . . . 83 PHE HB3 . 15249 1 1005 . 1 1 83 83 PHE C C 13 174.342 0.300 . 1 . . . . 83 PHE C . 15249 1 1006 . 1 1 83 83 PHE CA C 13 56.351 0.300 . 1 . . . . 83 PHE CA . 15249 1 1007 . 1 1 83 83 PHE CB C 13 40.850 0.300 . 1 . . . . 83 PHE CB . 15249 1 1008 . 1 1 83 83 PHE N N 15 112.606 0.300 . 1 . . . . 83 PHE N . 15249 1 1009 . 1 1 84 84 GLY H H 1 9.385 0.020 . 1 . . . . 84 GLY H . 15249 1 1010 . 1 1 84 84 GLY HA2 H 1 4.264 0.020 . 2 . . . . 84 GLY HA2 . 15249 1 1011 . 1 1 84 84 GLY HA3 H 1 4.229 0.020 . 2 . . . . 84 GLY HA3 . 15249 1 1012 . 1 1 84 84 GLY C C 13 172.456 0.300 . 1 . . . . 84 GLY C . 15249 1 1013 . 1 1 84 84 GLY CA C 13 44.930 0.300 . 1 . . . . 84 GLY CA . 15249 1 1014 . 1 1 84 84 GLY N N 15 108.300 0.300 . 1 . . . . 84 GLY N . 15249 1 1015 . 1 1 85 85 GLU H H 1 10.367 0.020 . 1 . . . . 85 GLU H . 15249 1 1016 . 1 1 85 85 GLU HA H 1 3.567 0.020 . 1 . . . . 85 GLU HA . 15249 1 1017 . 1 1 85 85 GLU HB2 H 1 1.684 0.020 . 2 . . . . 85 GLU HB2 . 15249 1 1018 . 1 1 85 85 GLU HB3 H 1 1.426 0.020 . 2 . . . . 85 GLU HB3 . 15249 1 1019 . 1 1 85 85 GLU C C 13 177.293 0.300 . 1 . . . . 85 GLU C . 15249 1 1020 . 1 1 85 85 GLU CA C 13 57.270 0.300 . 1 . . . . 85 GLU CA . 15249 1 1021 . 1 1 85 85 GLU CB C 13 28.575 0.300 . 1 . . . . 85 GLU CB . 15249 1 1022 . 1 1 85 85 GLU N N 15 119.425 0.300 . 1 . . . . 85 GLU N . 15249 1 1023 . 1 1 86 86 MET H H 1 6.961 0.020 . 1 . . . . 86 MET H . 15249 1 1024 . 1 1 86 86 MET HA H 1 3.740 0.020 . 1 . . . . 86 MET HA . 15249 1 1025 . 1 1 86 86 MET HB2 H 1 2.353 0.020 . 1 . . . . 86 MET HB2 . 15249 1 1026 . 1 1 86 86 MET HB3 H 1 2.353 0.020 . 1 . . . . 86 MET HB3 . 15249 1 1027 . 1 1 86 86 MET HE1 H 1 2.027 0.020 . 1 . . . . 86 MET HE . 15249 1 1028 . 1 1 86 86 MET HE2 H 1 2.027 0.020 . 1 . . . . 86 MET HE . 15249 1 1029 . 1 1 86 86 MET HE3 H 1 2.027 0.020 . 1 . . . . 86 MET HE . 15249 1 1030 . 1 1 86 86 MET HG2 H 1 2.632 0.020 . 1 . . . . 86 MET HG2 . 15249 1 1031 . 1 1 86 86 MET HG3 H 1 2.632 0.020 . 1 . . . . 86 MET HG3 . 15249 1 1032 . 1 1 86 86 MET C C 13 178.768 0.300 . 1 . . . . 86 MET C . 15249 1 1033 . 1 1 86 86 MET CA C 13 60.507 0.300 . 1 . . . . 86 MET CA . 15249 1 1034 . 1 1 86 86 MET CB C 13 32.375 0.300 . 1 . . . . 86 MET CB . 15249 1 1035 . 1 1 86 86 MET CE C 13 16.012 0.300 . 1 . . . . 86 MET CE . 15249 1 1036 . 1 1 86 86 MET CG C 13 31.521 0.300 . 1 . . . . 86 MET CG . 15249 1 1037 . 1 1 86 86 MET N N 15 118.669 0.300 . 1 . . . . 86 MET N . 15249 1 1038 . 1 1 87 87 ALA H H 1 8.542 0.020 . 1 . . . . 87 ALA H . 15249 1 1039 . 1 1 87 87 ALA HA H 1 4.238 0.020 . 1 . . . . 87 ALA HA . 15249 1 1040 . 1 1 87 87 ALA HB1 H 1 1.299 0.020 . 1 . . . . 87 ALA HB . 15249 1 1041 . 1 1 87 87 ALA HB2 H 1 1.299 0.020 . 1 . . . . 87 ALA HB . 15249 1 1042 . 1 1 87 87 ALA HB3 H 1 1.299 0.020 . 1 . . . . 87 ALA HB . 15249 1 1043 . 1 1 87 87 ALA C C 13 180.115 0.300 . 1 . . . . 87 ALA C . 15249 1 1044 . 1 1 87 87 ALA CA C 13 55.068 0.300 . 1 . . . . 87 ALA CA . 15249 1 1045 . 1 1 87 87 ALA CB C 13 20.117 0.300 . 1 . . . . 87 ALA CB . 15249 1 1046 . 1 1 87 87 ALA N N 15 122.723 0.300 . 1 . . . . 87 ALA N . 15249 1 1047 . 1 1 88 88 LEU H H 1 6.204 0.020 . 1 . . . . 88 LEU H . 15249 1 1048 . 1 1 88 88 LEU HA H 1 3.776 0.020 . 1 . . . . 88 LEU HA . 15249 1 1049 . 1 1 88 88 LEU HB2 H 1 0.787 0.020 . 2 . . . . 88 LEU HB2 . 15249 1 1050 . 1 1 88 88 LEU HB3 H 1 0.754 0.020 . 2 . . . . 88 LEU HB3 . 15249 1 1051 . 1 1 88 88 LEU HD11 H 1 0.131 0.020 . 1 . . . . 88 LEU HD1 . 15249 1 1052 . 1 1 88 88 LEU HD12 H 1 0.131 0.020 . 1 . . . . 88 LEU HD1 . 15249 1 1053 . 1 1 88 88 LEU HD13 H 1 0.131 0.020 . 1 . . . . 88 LEU HD1 . 15249 1 1054 . 1 1 88 88 LEU HD21 H 1 -0.118 0.020 . 1 . . . . 88 LEU HD2 . 15249 1 1055 . 1 1 88 88 LEU HD22 H 1 -0.118 0.020 . 1 . . . . 88 LEU HD2 . 15249 1 1056 . 1 1 88 88 LEU HD23 H 1 -0.118 0.020 . 1 . . . . 88 LEU HD2 . 15249 1 1057 . 1 1 88 88 LEU HG H 1 1.263 0.020 . 1 . . . . 88 LEU HG . 15249 1 1058 . 1 1 88 88 LEU C C 13 178.555 0.300 . 1 . . . . 88 LEU C . 15249 1 1059 . 1 1 88 88 LEU CA C 13 56.521 0.300 . 1 . . . . 88 LEU CA . 15249 1 1060 . 1 1 88 88 LEU CB C 13 40.330 0.300 . 1 . . . . 88 LEU CB . 15249 1 1061 . 1 1 88 88 LEU CD1 C 13 22.268 0.300 . 1 . . . . 88 LEU CD1 . 15249 1 1062 . 1 1 88 88 LEU CD2 C 13 25.048 0.300 . 1 . . . . 88 LEU CD2 . 15249 1 1063 . 1 1 88 88 LEU CG C 13 26.569 0.300 . 1 . . . . 88 LEU CG . 15249 1 1064 . 1 1 88 88 LEU N N 15 115.105 0.300 . 1 . . . . 88 LEU N . 15249 1 1065 . 1 1 89 89 ILE H H 1 7.518 0.020 . 1 . . . . 89 ILE H . 15249 1 1066 . 1 1 89 89 ILE HA H 1 3.863 0.020 . 1 . . . . 89 ILE HA . 15249 1 1067 . 1 1 89 89 ILE HB H 1 1.647 0.020 . 1 . . . . 89 ILE HB . 15249 1 1068 . 1 1 89 89 ILE HD11 H 1 0.763 0.020 . 1 . . . . 89 ILE HD1 . 15249 1 1069 . 1 1 89 89 ILE HD12 H 1 0.763 0.020 . 1 . . . . 89 ILE HD1 . 15249 1 1070 . 1 1 89 89 ILE HD13 H 1 0.763 0.020 . 1 . . . . 89 ILE HD1 . 15249 1 1071 . 1 1 89 89 ILE HG12 H 1 1.217 0.020 . 2 . . . . 89 ILE HG12 . 15249 1 1072 . 1 1 89 89 ILE HG13 H 1 1.196 0.020 . 2 . . . . 89 ILE HG13 . 15249 1 1073 . 1 1 89 89 ILE HG21 H 1 0.917 0.020 . 1 . . . . 89 ILE HG2 . 15249 1 1074 . 1 1 89 89 ILE HG22 H 1 0.917 0.020 . 1 . . . . 89 ILE HG2 . 15249 1 1075 . 1 1 89 89 ILE HG23 H 1 0.917 0.020 . 1 . . . . 89 ILE HG2 . 15249 1 1076 . 1 1 89 89 ILE C C 13 177.392 0.300 . 1 . . . . 89 ILE C . 15249 1 1077 . 1 1 89 89 ILE CA C 13 63.522 0.300 . 1 . . . . 89 ILE CA . 15249 1 1078 . 1 1 89 89 ILE CB C 13 39.503 0.300 . 1 . . . . 89 ILE CB . 15249 1 1079 . 1 1 89 89 ILE CD1 C 13 14.264 0.300 . 1 . . . . 89 ILE CD1 . 15249 1 1080 . 1 1 89 89 ILE CG1 C 13 29.002 0.300 . 1 . . . . 89 ILE CG1 . 15249 1 1081 . 1 1 89 89 ILE CG2 C 13 16.905 0.300 . 1 . . . . 89 ILE CG2 . 15249 1 1082 . 1 1 89 89 ILE N N 15 118.043 0.300 . 1 . . . . 89 ILE N . 15249 1 1083 . 1 1 90 90 SER H H 1 8.113 0.020 . 1 . . . . 90 SER H . 15249 1 1084 . 1 1 90 90 SER HA H 1 4.478 0.020 . 1 . . . . 90 SER HA . 15249 1 1085 . 1 1 90 90 SER HB2 H 1 3.961 0.020 . 2 . . . . 90 SER HB2 . 15249 1 1086 . 1 1 90 90 SER HB3 H 1 3.867 0.020 . 2 . . . . 90 SER HB3 . 15249 1 1087 . 1 1 90 90 SER C C 13 175.973 0.300 . 1 . . . . 90 SER C . 15249 1 1088 . 1 1 90 90 SER CA C 13 59.287 0.300 . 1 . . . . 90 SER CA . 15249 1 1089 . 1 1 90 90 SER CB C 13 65.970 0.300 . 1 . . . . 90 SER CB . 15249 1 1090 . 1 1 90 90 SER N N 15 111.954 0.300 . 1 . . . . 90 SER N . 15249 1 1091 . 1 1 91 91 GLY H H 1 7.887 0.020 . 1 . . . . 91 GLY H . 15249 1 1092 . 1 1 91 91 GLY HA2 H 1 4.160 0.020 . 2 . . . . 91 GLY HA2 . 15249 1 1093 . 1 1 91 91 GLY HA3 H 1 3.827 0.020 . 2 . . . . 91 GLY HA3 . 15249 1 1094 . 1 1 91 91 GLY C C 13 173.909 0.300 . 1 . . . . 91 GLY C . 15249 1 1095 . 1 1 91 91 GLY CA C 13 46.013 0.300 . 1 . . . . 91 GLY CA . 15249 1 1096 . 1 1 91 91 GLY N N 15 112.803 0.300 . 1 . . . . 91 GLY N . 15249 1 1097 . 1 1 92 92 GLU H H 1 7.884 0.020 . 1 . . . . 92 GLU H . 15249 1 1098 . 1 1 92 92 GLU HA H 1 4.441 0.020 . 1 . . . . 92 GLU HA . 15249 1 1099 . 1 1 92 92 GLU HB2 H 1 1.687 0.020 . 1 . . . . 92 GLU HB2 . 15249 1 1100 . 1 1 92 92 GLU HB3 H 1 1.687 0.020 . 1 . . . . 92 GLU HB3 . 15249 1 1101 . 1 1 92 92 GLU HG2 H 1 2.197 0.020 . 2 . . . . 92 GLU HG2 . 15249 1 1102 . 1 1 92 92 GLU HG3 H 1 2.156 0.020 . 2 . . . . 92 GLU HG3 . 15249 1 1103 . 1 1 92 92 GLU CA C 13 54.800 0.300 . 1 . . . . 92 GLU CA . 15249 1 1104 . 1 1 92 92 GLU CB C 13 29.167 0.300 . 1 . . . . 92 GLU CB . 15249 1 1105 . 1 1 92 92 GLU CG C 13 36.653 0.300 . 1 . . . . 92 GLU CG . 15249 1 1106 . 1 1 92 92 GLU N N 15 120.657 0.300 . 1 . . . . 92 GLU N . 15249 1 1107 . 1 1 93 93 PRO HA H 1 4.377 0.020 . 1 . . . . 93 PRO HA . 15249 1 1108 . 1 1 93 93 PRO HB2 H 1 1.927 0.020 . 2 . . . . 93 PRO HB2 . 15249 1 1109 . 1 1 93 93 PRO HB3 H 1 1.467 0.020 . 2 . . . . 93 PRO HB3 . 15249 1 1110 . 1 1 93 93 PRO HD2 H 1 3.738 0.020 . 2 . . . . 93 PRO HD2 . 15249 1 1111 . 1 1 93 93 PRO HD3 H 1 3.492 0.020 . 2 . . . . 93 PRO HD3 . 15249 1 1112 . 1 1 93 93 PRO HG2 H 1 1.930 0.020 . 2 . . . . 93 PRO HG2 . 15249 1 1113 . 1 1 93 93 PRO HG3 H 1 1.838 0.020 . 2 . . . . 93 PRO HG3 . 15249 1 1114 . 1 1 93 93 PRO C C 13 178.980 0.300 . 1 . . . . 93 PRO C . 15249 1 1115 . 1 1 93 93 PRO CA C 13 61.779 0.300 . 1 . . . . 93 PRO CA . 15249 1 1116 . 1 1 93 93 PRO CB C 13 32.263 0.300 . 1 . . . . 93 PRO CB . 15249 1 1117 . 1 1 93 93 PRO CD C 13 50.148 0.300 . 1 . . . . 93 PRO CD . 15249 1 1118 . 1 1 93 93 PRO CG C 13 27.470 0.300 . 1 . . . . 93 PRO CG . 15249 1 1119 . 1 1 94 94 ARG H H 1 9.135 0.020 . 1 . . . . 94 ARG H . 15249 1 1120 . 1 1 94 94 ARG HA H 1 4.347 0.020 . 1 . . . . 94 ARG HA . 15249 1 1121 . 1 1 94 94 ARG HB2 H 1 1.831 0.020 . 2 . . . . 94 ARG HB2 . 15249 1 1122 . 1 1 94 94 ARG HB3 H 1 1.755 0.020 . 2 . . . . 94 ARG HB3 . 15249 1 1123 . 1 1 94 94 ARG HD2 H 1 3.173 0.020 . 2 . . . . 94 ARG HD2 . 15249 1 1124 . 1 1 94 94 ARG HD3 H 1 3.121 0.020 . 2 . . . . 94 ARG HD3 . 15249 1 1125 . 1 1 94 94 ARG HG2 H 1 1.618 0.020 . 2 . . . . 94 ARG HG2 . 15249 1 1126 . 1 1 94 94 ARG HG3 H 1 1.554 0.020 . 2 . . . . 94 ARG HG3 . 15249 1 1127 . 1 1 94 94 ARG C C 13 178.980 0.300 . 1 . . . . 94 ARG C . 15249 1 1128 . 1 1 94 94 ARG CA C 13 56.001 0.300 . 1 . . . . 94 ARG CA . 15249 1 1129 . 1 1 94 94 ARG CB C 13 30.765 0.300 . 1 . . . . 94 ARG CB . 15249 1 1130 . 1 1 94 94 ARG CD C 13 43.241 0.300 . 1 . . . . 94 ARG CD . 15249 1 1131 . 1 1 94 94 ARG CG C 13 27.171 0.300 . 1 . . . . 94 ARG CG . 15249 1 1132 . 1 1 94 94 ARG N N 15 116.573 0.300 . 1 . . . . 94 ARG N . 15249 1 1133 . 1 1 95 95 SER H H 1 9.721 0.020 . 1 . . . . 95 SER H . 15249 1 1134 . 1 1 95 95 SER HA H 1 4.257 0.020 . 1 . . . . 95 SER HA . 15249 1 1135 . 1 1 95 95 SER HB2 H 1 4.280 0.020 . 2 . . . . 95 SER HB2 . 15249 1 1136 . 1 1 95 95 SER HB3 H 1 4.261 0.020 . 2 . . . . 95 SER HB3 . 15249 1 1137 . 1 1 95 95 SER C C 13 173.647 0.300 . 1 . . . . 95 SER C . 15249 1 1138 . 1 1 95 95 SER CA C 13 59.828 0.300 . 1 . . . . 95 SER CA . 15249 1 1139 . 1 1 95 95 SER CB C 13 65.728 0.300 . 1 . . . . 95 SER CB . 15249 1 1140 . 1 1 95 95 SER N N 15 118.671 0.300 . 1 . . . . 95 SER N . 15249 1 1141 . 1 1 96 96 ALA H H 1 7.333 0.020 . 1 . . . . 96 ALA H . 15249 1 1142 . 1 1 96 96 ALA HA H 1 4.450 0.020 . 1 . . . . 96 ALA HA . 15249 1 1143 . 1 1 96 96 ALA HB1 H 1 0.908 0.020 . 1 . . . . 96 ALA HB . 15249 1 1144 . 1 1 96 96 ALA HB2 H 1 0.908 0.020 . 1 . . . . 96 ALA HB . 15249 1 1145 . 1 1 96 96 ALA HB3 H 1 0.908 0.020 . 1 . . . . 96 ALA HB . 15249 1 1146 . 1 1 96 96 ALA C C 13 174.500 0.300 . 1 . . . . 96 ALA C . 15249 1 1147 . 1 1 96 96 ALA CA C 13 51.373 0.300 . 1 . . . . 96 ALA CA . 15249 1 1148 . 1 1 96 96 ALA CB C 13 22.051 0.300 . 1 . . . . 96 ALA CB . 15249 1 1149 . 1 1 96 96 ALA N N 15 120.338 0.300 . 1 . . . . 96 ALA N . 15249 1 1150 . 1 1 97 97 THR H H 1 8.669 0.020 . 1 . . . . 97 THR H . 15249 1 1151 . 1 1 97 97 THR HA H 1 4.722 0.020 . 1 . . . . 97 THR HA . 15249 1 1152 . 1 1 97 97 THR HB H 1 3.988 0.020 . 1 . . . . 97 THR HB . 15249 1 1153 . 1 1 97 97 THR HG21 H 1 1.300 0.020 . 1 . . . . 97 THR HG2 . 15249 1 1154 . 1 1 97 97 THR HG22 H 1 1.300 0.020 . 1 . . . . 97 THR HG2 . 15249 1 1155 . 1 1 97 97 THR HG23 H 1 1.300 0.020 . 1 . . . . 97 THR HG2 . 15249 1 1156 . 1 1 97 97 THR C C 13 173.661 0.300 . 1 . . . . 97 THR C . 15249 1 1157 . 1 1 97 97 THR CA C 13 61.472 0.300 . 1 . . . . 97 THR CA . 15249 1 1158 . 1 1 97 97 THR CB C 13 69.789 0.300 . 1 . . . . 97 THR CB . 15249 1 1159 . 1 1 97 97 THR CG2 C 13 22.633 0.300 . 1 . . . . 97 THR CG2 . 15249 1 1160 . 1 1 97 97 THR N N 15 118.741 0.300 . 1 . . . . 97 THR N . 15249 1 1161 . 1 1 98 98 VAL H H 1 8.867 0.020 . 1 . . . . 98 VAL H . 15249 1 1162 . 1 1 98 98 VAL HA H 1 4.890 0.020 . 1 . . . . 98 VAL HA . 15249 1 1163 . 1 1 98 98 VAL HB H 1 1.693 0.020 . 1 . . . . 98 VAL HB . 15249 1 1164 . 1 1 98 98 VAL HG11 H 1 0.652 0.020 . 1 . . . . 98 VAL HG1 . 15249 1 1165 . 1 1 98 98 VAL HG12 H 1 0.652 0.020 . 1 . . . . 98 VAL HG1 . 15249 1 1166 . 1 1 98 98 VAL HG13 H 1 0.652 0.020 . 1 . . . . 98 VAL HG1 . 15249 1 1167 . 1 1 98 98 VAL HG21 H 1 -0.174 0.020 . 1 . . . . 98 VAL HG2 . 15249 1 1168 . 1 1 98 98 VAL HG22 H 1 -0.174 0.020 . 1 . . . . 98 VAL HG2 . 15249 1 1169 . 1 1 98 98 VAL HG23 H 1 -0.174 0.020 . 1 . . . . 98 VAL HG2 . 15249 1 1170 . 1 1 98 98 VAL C C 13 174.867 0.300 . 1 . . . . 98 VAL C . 15249 1 1171 . 1 1 98 98 VAL CA C 13 60.914 0.300 . 1 . . . . 98 VAL CA . 15249 1 1172 . 1 1 98 98 VAL CB C 13 33.669 0.300 . 1 . . . . 98 VAL CB . 15249 1 1173 . 1 1 98 98 VAL CG1 C 13 20.928 0.300 . 1 . . . . 98 VAL CG1 . 15249 1 1174 . 1 1 98 98 VAL CG2 C 13 20.504 0.300 . 1 . . . . 98 VAL CG2 . 15249 1 1175 . 1 1 98 98 VAL N N 15 127.537 0.300 . 1 . . . . 98 VAL N . 15249 1 1176 . 1 1 99 99 SER H H 1 8.854 0.020 . 1 . . . . 99 SER H . 15249 1 1177 . 1 1 99 99 SER HA H 1 5.219 0.020 . 1 . . . . 99 SER HA . 15249 1 1178 . 1 1 99 99 SER HB2 H 1 3.464 0.020 . 2 . . . . 99 SER HB2 . 15249 1 1179 . 1 1 99 99 SER HB3 H 1 3.440 0.020 . 2 . . . . 99 SER HB3 . 15249 1 1180 . 1 1 99 99 SER C C 13 172.470 0.300 . 1 . . . . 99 SER C . 15249 1 1181 . 1 1 99 99 SER CA C 13 55.990 0.300 . 1 . . . . 99 SER CA . 15249 1 1182 . 1 1 99 99 SER CB C 13 66.329 0.300 . 1 . . . . 99 SER CB . 15249 1 1183 . 1 1 99 99 SER N N 15 121.781 0.300 . 1 . . . . 99 SER N . 15249 1 1184 . 1 1 100 100 ALA H H 1 8.860 0.020 . 1 . . . . 100 ALA H . 15249 1 1185 . 1 1 100 100 ALA HA H 1 4.244 0.020 . 1 . . . . 100 ALA HA . 15249 1 1186 . 1 1 100 100 ALA HB1 H 1 1.609 0.020 . 1 . . . . 100 ALA HB . 15249 1 1187 . 1 1 100 100 ALA HB2 H 1 1.609 0.020 . 1 . . . . 100 ALA HB . 15249 1 1188 . 1 1 100 100 ALA HB3 H 1 1.609 0.020 . 1 . . . . 100 ALA HB . 15249 1 1189 . 1 1 100 100 ALA C C 13 177.562 0.300 . 1 . . . . 100 ALA C . 15249 1 1190 . 1 1 100 100 ALA CA C 13 53.034 0.300 . 1 . . . . 100 ALA CA . 15249 1 1191 . 1 1 100 100 ALA CB C 13 19.294 0.300 . 1 . . . . 100 ALA CB . 15249 1 1192 . 1 1 100 100 ALA N N 15 125.353 0.300 . 1 . . . . 100 ALA N . 15249 1 1193 . 1 1 101 101 ALA H H 1 9.109 0.020 . 1 . . . . 101 ALA H . 15249 1 1194 . 1 1 101 101 ALA HA H 1 4.313 0.020 . 1 . . . . 101 ALA HA . 15249 1 1195 . 1 1 101 101 ALA HB1 H 1 1.215 0.020 . 1 . . . . 101 ALA HB . 15249 1 1196 . 1 1 101 101 ALA HB2 H 1 1.215 0.020 . 1 . . . . 101 ALA HB . 15249 1 1197 . 1 1 101 101 ALA HB3 H 1 1.215 0.020 . 1 . . . . 101 ALA HB . 15249 1 1198 . 1 1 101 101 ALA C C 13 177.661 0.300 . 1 . . . . 101 ALA C . 15249 1 1199 . 1 1 101 101 ALA CA C 13 54.025 0.300 . 1 . . . . 101 ALA CA . 15249 1 1200 . 1 1 101 101 ALA CB C 13 18.772 0.300 . 1 . . . . 101 ALA CB . 15249 1 1201 . 1 1 101 101 ALA N N 15 132.385 0.300 . 1 . . . . 101 ALA N . 15249 1 1202 . 1 1 102 102 THR H H 1 7.492 0.020 . 1 . . . . 102 THR H . 15249 1 1203 . 1 1 102 102 THR HA H 1 4.494 0.020 . 1 . . . . 102 THR HA . 15249 1 1204 . 1 1 102 102 THR HB H 1 4.628 0.020 . 1 . . . . 102 THR HB . 15249 1 1205 . 1 1 102 102 THR HG21 H 1 1.118 0.020 . 1 . . . . 102 THR HG2 . 15249 1 1206 . 1 1 102 102 THR HG22 H 1 1.118 0.020 . 1 . . . . 102 THR HG2 . 15249 1 1207 . 1 1 102 102 THR HG23 H 1 1.118 0.020 . 1 . . . . 102 THR HG2 . 15249 1 1208 . 1 1 102 102 THR C C 13 173.676 0.300 . 1 . . . . 102 THR C . 15249 1 1209 . 1 1 102 102 THR CA C 13 59.676 0.300 . 1 . . . . 102 THR CA . 15249 1 1210 . 1 1 102 102 THR CB C 13 72.639 0.300 . 1 . . . . 102 THR CB . 15249 1 1211 . 1 1 102 102 THR CG2 C 13 20.675 0.300 . 1 . . . . 102 THR CG2 . 15249 1 1212 . 1 1 102 102 THR N N 15 109.170 0.300 . 1 . . . . 102 THR N . 15249 1 1213 . 1 1 103 103 THR H H 1 8.387 0.020 . 1 . . . . 103 THR H . 15249 1 1214 . 1 1 103 103 THR HA H 1 4.644 0.020 . 1 . . . . 103 THR HA . 15249 1 1215 . 1 1 103 103 THR HB H 1 3.998 0.020 . 1 . . . . 103 THR HB . 15249 1 1216 . 1 1 103 103 THR HG21 H 1 1.105 0.020 . 1 . . . . 103 THR HG2 . 15249 1 1217 . 1 1 103 103 THR HG22 H 1 1.105 0.020 . 1 . . . . 103 THR HG2 . 15249 1 1218 . 1 1 103 103 THR HG23 H 1 1.105 0.020 . 1 . . . . 103 THR HG2 . 15249 1 1219 . 1 1 103 103 THR C C 13 176.668 0.300 . 1 . . . . 103 THR C . 15249 1 1220 . 1 1 103 103 THR CA C 13 65.355 0.300 . 1 . . . . 103 THR CA . 15249 1 1221 . 1 1 103 103 THR CB C 13 68.734 0.300 . 1 . . . . 103 THR CB . 15249 1 1222 . 1 1 103 103 THR CG2 C 13 22.262 0.300 . 1 . . . . 103 THR CG2 . 15249 1 1223 . 1 1 103 103 THR N N 15 116.091 0.300 . 1 . . . . 103 THR N . 15249 1 1224 . 1 1 104 104 VAL H H 1 9.224 0.020 . 1 . . . . 104 VAL H . 15249 1 1225 . 1 1 104 104 VAL HA H 1 5.159 0.020 . 1 . . . . 104 VAL HA . 15249 1 1226 . 1 1 104 104 VAL HB H 1 1.929 0.020 . 1 . . . . 104 VAL HB . 15249 1 1227 . 1 1 104 104 VAL HG11 H 1 0.943 0.020 . 1 . . . . 104 VAL HG1 . 15249 1 1228 . 1 1 104 104 VAL HG12 H 1 0.943 0.020 . 1 . . . . 104 VAL HG1 . 15249 1 1229 . 1 1 104 104 VAL HG13 H 1 0.943 0.020 . 1 . . . . 104 VAL HG1 . 15249 1 1230 . 1 1 104 104 VAL HG21 H 1 0.927 0.020 . 1 . . . . 104 VAL HG2 . 15249 1 1231 . 1 1 104 104 VAL HG22 H 1 0.927 0.020 . 1 . . . . 104 VAL HG2 . 15249 1 1232 . 1 1 104 104 VAL HG23 H 1 0.927 0.020 . 1 . . . . 104 VAL HG2 . 15249 1 1233 . 1 1 104 104 VAL C C 13 173.917 0.300 . 1 . . . . 104 VAL C . 15249 1 1234 . 1 1 104 104 VAL CA C 13 59.590 0.300 . 1 . . . . 104 VAL CA . 15249 1 1235 . 1 1 104 104 VAL CB C 13 36.057 0.300 . 1 . . . . 104 VAL CB . 15249 1 1236 . 1 1 104 104 VAL CG1 C 13 23.063 0.300 . 1 . . . . 104 VAL CG1 . 15249 1 1237 . 1 1 104 104 VAL CG2 C 13 21.899 0.300 . 1 . . . . 104 VAL CG2 . 15249 1 1238 . 1 1 104 104 VAL N N 15 130.429 0.300 . 1 . . . . 104 VAL N . 15249 1 1239 . 1 1 105 105 SER H H 1 8.664 0.020 . 1 . . . . 105 SER H . 15249 1 1240 . 1 1 105 105 SER HA H 1 5.185 0.020 . 1 . . . . 105 SER HA . 15249 1 1241 . 1 1 105 105 SER HB2 H 1 3.828 0.020 . 2 . . . . 105 SER HB2 . 15249 1 1242 . 1 1 105 105 SER HB3 H 1 3.747 0.020 . 2 . . . . 105 SER HB3 . 15249 1 1243 . 1 1 105 105 SER C C 13 173.335 0.300 . 1 . . . . 105 SER C . 15249 1 1244 . 1 1 105 105 SER CA C 13 56.840 0.300 . 1 . . . . 105 SER CA . 15249 1 1245 . 1 1 105 105 SER CB C 13 64.326 0.300 . 1 . . . . 105 SER CB . 15249 1 1246 . 1 1 105 105 SER N N 15 121.217 0.300 . 1 . . . . 105 SER N . 15249 1 1247 . 1 1 106 106 LEU H H 1 9.328 0.020 . 1 . . . . 106 LEU H . 15249 1 1248 . 1 1 106 106 LEU HA H 1 5.631 0.020 . 1 . . . . 106 LEU HA . 15249 1 1249 . 1 1 106 106 LEU HB2 H 1 1.898 0.020 . 2 . . . . 106 LEU HB2 . 15249 1 1250 . 1 1 106 106 LEU HB3 H 1 1.643 0.020 . 2 . . . . 106 LEU HB3 . 15249 1 1251 . 1 1 106 106 LEU HD11 H 1 0.938 0.020 . 1 . . . . 106 LEU HD1 . 15249 1 1252 . 1 1 106 106 LEU HD12 H 1 0.938 0.020 . 1 . . . . 106 LEU HD1 . 15249 1 1253 . 1 1 106 106 LEU HD13 H 1 0.938 0.020 . 1 . . . . 106 LEU HD1 . 15249 1 1254 . 1 1 106 106 LEU HD21 H 1 0.759 0.020 . 1 . . . . 106 LEU HD2 . 15249 1 1255 . 1 1 106 106 LEU HD22 H 1 0.759 0.020 . 1 . . . . 106 LEU HD2 . 15249 1 1256 . 1 1 106 106 LEU HD23 H 1 0.759 0.020 . 1 . . . . 106 LEU HD2 . 15249 1 1257 . 1 1 106 106 LEU HG H 1 1.749 0.020 . 1 . . . . 106 LEU HG . 15249 1 1258 . 1 1 106 106 LEU C C 13 177.037 0.300 . 1 . . . . 106 LEU C . 15249 1 1259 . 1 1 106 106 LEU CA C 13 53.073 0.300 . 1 . . . . 106 LEU CA . 15249 1 1260 . 1 1 106 106 LEU CB C 13 47.168 0.300 . 1 . . . . 106 LEU CB . 15249 1 1261 . 1 1 106 106 LEU CD1 C 13 26.096 0.300 . 1 . . . . 106 LEU CD1 . 15249 1 1262 . 1 1 106 106 LEU CD2 C 13 26.441 0.300 . 1 . . . . 106 LEU CD2 . 15249 1 1263 . 1 1 106 106 LEU CG C 13 27.014 0.300 . 1 . . . . 106 LEU CG . 15249 1 1264 . 1 1 106 106 LEU N N 15 125.430 0.300 . 1 . . . . 106 LEU N . 15249 1 1265 . 1 1 107 107 LEU H H 1 9.025 0.020 . 1 . . . . 107 LEU H . 15249 1 1266 . 1 1 107 107 LEU HA H 1 5.311 0.020 . 1 . . . . 107 LEU HA . 15249 1 1267 . 1 1 107 107 LEU HB2 H 1 1.843 0.020 . 2 . . . . 107 LEU HB2 . 15249 1 1268 . 1 1 107 107 LEU HB3 H 1 1.524 0.020 . 2 . . . . 107 LEU HB3 . 15249 1 1269 . 1 1 107 107 LEU HD11 H 1 0.833 0.020 . 1 . . . . 107 LEU HD1 . 15249 1 1270 . 1 1 107 107 LEU HD12 H 1 0.833 0.020 . 1 . . . . 107 LEU HD1 . 15249 1 1271 . 1 1 107 107 LEU HD13 H 1 0.833 0.020 . 1 . . . . 107 LEU HD1 . 15249 1 1272 . 1 1 107 107 LEU HD21 H 1 0.710 0.020 . 1 . . . . 107 LEU HD2 . 15249 1 1273 . 1 1 107 107 LEU HD22 H 1 0.710 0.020 . 1 . . . . 107 LEU HD2 . 15249 1 1274 . 1 1 107 107 LEU HD23 H 1 0.710 0.020 . 1 . . . . 107 LEU HD2 . 15249 1 1275 . 1 1 107 107 LEU HG H 1 1.620 0.020 . 1 . . . . 107 LEU HG . 15249 1 1276 . 1 1 107 107 LEU C C 13 176.229 0.300 . 1 . . . . 107 LEU C . 15249 1 1277 . 1 1 107 107 LEU CA C 13 53.362 0.300 . 1 . . . . 107 LEU CA . 15249 1 1278 . 1 1 107 107 LEU CB C 13 46.262 0.300 . 1 . . . . 107 LEU CB . 15249 1 1279 . 1 1 107 107 LEU CD1 C 13 23.120 0.300 . 1 . . . . 107 LEU CD1 . 15249 1 1280 . 1 1 107 107 LEU CD2 C 13 26.476 0.300 . 1 . . . . 107 LEU CD2 . 15249 1 1281 . 1 1 107 107 LEU CG C 13 26.421 0.300 . 1 . . . . 107 LEU CG . 15249 1 1282 . 1 1 107 107 LEU N N 15 120.356 0.300 . 1 . . . . 107 LEU N . 15249 1 1283 . 1 1 108 108 SER H H 1 9.598 0.020 . 1 . . . . 108 SER H . 15249 1 1284 . 1 1 108 108 SER HA H 1 5.372 0.020 . 1 . . . . 108 SER HA . 15249 1 1285 . 1 1 108 108 SER HB2 H 1 3.635 0.020 . 2 . . . . 108 SER HB2 . 15249 1 1286 . 1 1 108 108 SER HB3 H 1 3.435 0.020 . 2 . . . . 108 SER HB3 . 15249 1 1287 . 1 1 108 108 SER C C 13 172.810 0.300 . 1 . . . . 108 SER C . 15249 1 1288 . 1 1 108 108 SER CA C 13 56.289 0.300 . 1 . . . . 108 SER CA . 15249 1 1289 . 1 1 108 108 SER CB C 13 66.597 0.300 . 1 . . . . 108 SER CB . 15249 1 1290 . 1 1 108 108 SER N N 15 117.869 0.300 . 1 . . . . 108 SER N . 15249 1 1291 . 1 1 109 109 LEU H H 1 8.294 0.020 . 1 . . . . 109 LEU H . 15249 1 1292 . 1 1 109 109 LEU HA H 1 4.935 0.020 . 1 . . . . 109 LEU HA . 15249 1 1293 . 1 1 109 109 LEU HB2 H 1 1.705 0.020 . 2 . . . . 109 LEU HB2 . 15249 1 1294 . 1 1 109 109 LEU HB3 H 1 1.301 0.020 . 2 . . . . 109 LEU HB3 . 15249 1 1295 . 1 1 109 109 LEU HD11 H 1 0.965 0.020 . 1 . . . . 109 LEU HD1 . 15249 1 1296 . 1 1 109 109 LEU HD12 H 1 0.965 0.020 . 1 . . . . 109 LEU HD1 . 15249 1 1297 . 1 1 109 109 LEU HD13 H 1 0.965 0.020 . 1 . . . . 109 LEU HD1 . 15249 1 1298 . 1 1 109 109 LEU HD21 H 1 0.768 0.020 . 1 . . . . 109 LEU HD2 . 15249 1 1299 . 1 1 109 109 LEU HD22 H 1 0.768 0.020 . 1 . . . . 109 LEU HD2 . 15249 1 1300 . 1 1 109 109 LEU HD23 H 1 0.768 0.020 . 1 . . . . 109 LEU HD2 . 15249 1 1301 . 1 1 109 109 LEU HG H 1 1.640 0.020 . 1 . . . . 109 LEU HG . 15249 1 1302 . 1 1 109 109 LEU C C 13 175.051 0.300 . 1 . . . . 109 LEU C . 15249 1 1303 . 1 1 109 109 LEU CA C 13 52.799 0.300 . 1 . . . . 109 LEU CA . 15249 1 1304 . 1 1 109 109 LEU CB C 13 46.601 0.300 . 1 . . . . 109 LEU CB . 15249 1 1305 . 1 1 109 109 LEU CD1 C 13 25.147 0.300 . 1 . . . . 109 LEU CD1 . 15249 1 1306 . 1 1 109 109 LEU CD2 C 13 24.592 0.300 . 1 . . . . 109 LEU CD2 . 15249 1 1307 . 1 1 109 109 LEU CG C 13 26.955 0.300 . 1 . . . . 109 LEU CG . 15249 1 1308 . 1 1 109 109 LEU N N 15 124.403 0.300 . 1 . . . . 109 LEU N . 15249 1 1309 . 1 1 110 110 HIS H H 1 9.685 0.020 . 1 . . . . 110 HIS H . 15249 1 1310 . 1 1 110 110 HIS HA H 1 4.425 0.020 . 1 . . . . 110 HIS HA . 15249 1 1311 . 1 1 110 110 HIS HB2 H 1 3.268 0.020 . 1 . . . . 110 HIS HB2 . 15249 1 1312 . 1 1 110 110 HIS HB3 H 1 3.268 0.020 . 1 . . . . 110 HIS HB3 . 15249 1 1313 . 1 1 110 110 HIS HD2 H 1 6.925 0.020 . 1 . . . . 110 HIS HD2 . 15249 1 1314 . 1 1 110 110 HIS HE1 H 1 7.683 0.020 . 1 . . . . 110 HIS HE1 . 15249 1 1315 . 1 1 110 110 HIS C C 13 176.285 0.300 . 1 . . . . 110 HIS C . 15249 1 1316 . 1 1 110 110 HIS CA C 13 57.888 0.300 . 1 . . . . 110 HIS CA . 15249 1 1317 . 1 1 110 110 HIS CB C 13 31.638 0.300 . 1 . . . . 110 HIS CB . 15249 1 1318 . 1 1 110 110 HIS CD2 C 13 119.912 0.300 . 1 . . . . 110 HIS CD2 . 15249 1 1319 . 1 1 110 110 HIS CE1 C 13 138.371 0.300 . 1 . . . . 110 HIS CE1 . 15249 1 1320 . 1 1 110 110 HIS N N 15 126.964 0.300 . 1 . . . . 110 HIS N . 15249 1 1321 . 1 1 111 111 SER H H 1 7.771 0.020 . 1 . . . . 111 SER H . 15249 1 1322 . 1 1 111 111 SER HA H 1 3.766 0.020 . 1 . . . . 111 SER HA . 15249 1 1323 . 1 1 111 111 SER HB2 H 1 3.674 0.020 . 2 . . . . 111 SER HB2 . 15249 1 1324 . 1 1 111 111 SER HB3 H 1 3.569 0.020 . 2 . . . . 111 SER HB3 . 15249 1 1325 . 1 1 111 111 SER C C 13 175.817 0.300 . 1 . . . . 111 SER C . 15249 1 1326 . 1 1 111 111 SER CA C 13 62.209 0.300 . 1 . . . . 111 SER CA . 15249 1 1327 . 1 1 111 111 SER CB C 13 62.859 0.300 . 1 . . . . 111 SER CB . 15249 1 1328 . 1 1 111 111 SER N N 15 118.452 0.300 . 1 . . . . 111 SER N . 15249 1 1329 . 1 1 112 112 ALA H H 1 9.640 0.020 . 1 . . . . 112 ALA H . 15249 1 1330 . 1 1 112 112 ALA HA H 1 4.203 0.020 . 1 . . . . 112 ALA HA . 15249 1 1331 . 1 1 112 112 ALA HB1 H 1 1.502 0.020 . 1 . . . . 112 ALA HB . 15249 1 1332 . 1 1 112 112 ALA HB2 H 1 1.502 0.020 . 1 . . . . 112 ALA HB . 15249 1 1333 . 1 1 112 112 ALA HB3 H 1 1.502 0.020 . 1 . . . . 112 ALA HB . 15249 1 1334 . 1 1 112 112 ALA C C 13 180.569 0.300 . 1 . . . . 112 ALA C . 15249 1 1335 . 1 1 112 112 ALA CA C 13 55.923 0.300 . 1 . . . . 112 ALA CA . 15249 1 1336 . 1 1 112 112 ALA CB C 13 18.306 0.300 . 1 . . . . 112 ALA CB . 15249 1 1337 . 1 1 112 112 ALA N N 15 124.680 0.300 . 1 . . . . 112 ALA N . 15249 1 1338 . 1 1 113 113 ASP H H 1 7.295 0.020 . 1 . . . . 113 ASP H . 15249 1 1339 . 1 1 113 113 ASP HA H 1 4.606 0.020 . 1 . . . . 113 ASP HA . 15249 1 1340 . 1 1 113 113 ASP HB2 H 1 2.699 0.020 . 2 . . . . 113 ASP HB2 . 15249 1 1341 . 1 1 113 113 ASP HB3 H 1 2.500 0.020 . 2 . . . . 113 ASP HB3 . 15249 1 1342 . 1 1 113 113 ASP C C 13 177.746 0.300 . 1 . . . . 113 ASP C . 15249 1 1343 . 1 1 113 113 ASP CA C 13 56.749 0.300 . 1 . . . . 113 ASP CA . 15249 1 1344 . 1 1 113 113 ASP CB C 13 42.292 0.300 . 1 . . . . 113 ASP CB . 15249 1 1345 . 1 1 113 113 ASP N N 15 117.416 0.300 . 1 . . . . 113 ASP N . 15249 1 1346 . 1 1 114 114 PHE H H 1 8.686 0.020 . 1 . . . . 114 PHE H . 15249 1 1347 . 1 1 114 114 PHE HA H 1 4.042 0.020 . 1 . . . . 114 PHE HA . 15249 1 1348 . 1 1 114 114 PHE HB2 H 1 3.232 0.020 . 2 . . . . 114 PHE HB2 . 15249 1 1349 . 1 1 114 114 PHE HB3 H 1 2.516 0.020 . 2 . . . . 114 PHE HB3 . 15249 1 1350 . 1 1 114 114 PHE HD1 H 1 6.816 0.020 . 1 . . . . 114 PHE HD1 . 15249 1 1351 . 1 1 114 114 PHE HD2 H 1 6.816 0.020 . 1 . . . . 114 PHE HD2 . 15249 1 1352 . 1 1 114 114 PHE HE1 H 1 6.348 0.020 . 1 . . . . 114 PHE HE1 . 15249 1 1353 . 1 1 114 114 PHE HE2 H 1 6.348 0.020 . 1 . . . . 114 PHE HE2 . 15249 1 1354 . 1 1 114 114 PHE HZ H 1 6.528 0.020 . 1 . . . . 114 PHE HZ . 15249 1 1355 . 1 1 114 114 PHE C C 13 176.980 0.300 . 1 . . . . 114 PHE C . 15249 1 1356 . 1 1 114 114 PHE CA C 13 61.686 0.300 . 1 . . . . 114 PHE CA . 15249 1 1357 . 1 1 114 114 PHE CB C 13 38.984 0.300 . 1 . . . . 114 PHE CB . 15249 1 1358 . 1 1 114 114 PHE CD1 C 13 131.630 0.300 . 1 . . . . 114 PHE CD1 . 15249 1 1359 . 1 1 114 114 PHE CD2 C 13 131.630 0.300 . 1 . . . . 114 PHE CD2 . 15249 1 1360 . 1 1 114 114 PHE CE1 C 13 131.739 0.300 . 1 . . . . 114 PHE CE1 . 15249 1 1361 . 1 1 114 114 PHE CE2 C 13 131.739 0.300 . 1 . . . . 114 PHE CE2 . 15249 1 1362 . 1 1 114 114 PHE CZ C 13 128.846 0.300 . 1 . . . . 114 PHE CZ . 15249 1 1363 . 1 1 114 114 PHE N N 15 123.034 0.300 . 1 . . . . 114 PHE N . 15249 1 1364 . 1 1 115 115 GLN H H 1 8.392 0.020 . 1 . . . . 115 GLN H . 15249 1 1365 . 1 1 115 115 GLN HA H 1 3.812 0.020 . 1 . . . . 115 GLN HA . 15249 1 1366 . 1 1 115 115 GLN HB2 H 1 2.160 0.020 . 2 . . . . 115 GLN HB2 . 15249 1 1367 . 1 1 115 115 GLN HB3 H 1 2.121 0.020 . 2 . . . . 115 GLN HB3 . 15249 1 1368 . 1 1 115 115 GLN HE21 H 1 7.501 0.020 . 2 . . . . 115 GLN HE21 . 15249 1 1369 . 1 1 115 115 GLN HE22 H 1 6.849 0.020 . 2 . . . . 115 GLN HE22 . 15249 1 1370 . 1 1 115 115 GLN HG2 H 1 2.574 0.020 . 2 . . . . 115 GLN HG2 . 15249 1 1371 . 1 1 115 115 GLN HG3 H 1 2.537 0.020 . 2 . . . . 115 GLN HG3 . 15249 1 1372 . 1 1 115 115 GLN C C 13 178.796 0.300 . 1 . . . . 115 GLN C . 15249 1 1373 . 1 1 115 115 GLN CA C 13 59.008 0.300 . 1 . . . . 115 GLN CA . 15249 1 1374 . 1 1 115 115 GLN CB C 13 27.517 0.300 . 1 . . . . 115 GLN CB . 15249 1 1375 . 1 1 115 115 GLN CG C 13 33.492 0.300 . 1 . . . . 115 GLN CG . 15249 1 1376 . 1 1 115 115 GLN N N 15 119.695 0.300 . 1 . . . . 115 GLN N . 15249 1 1377 . 1 1 115 115 GLN NE2 N 15 111.638 0.300 . 1 . . . . 115 GLN NE2 . 15249 1 1378 . 1 1 116 116 MET H H 1 7.390 0.020 . 1 . . . . 116 MET H . 15249 1 1379 . 1 1 116 116 MET HA H 1 4.089 0.020 . 1 . . . . 116 MET HA . 15249 1 1380 . 1 1 116 116 MET HB2 H 1 2.305 0.020 . 2 . . . . 116 MET HB2 . 15249 1 1381 . 1 1 116 116 MET HB3 H 1 2.233 0.020 . 2 . . . . 116 MET HB3 . 15249 1 1382 . 1 1 116 116 MET HE1 H 1 1.998 0.020 . 1 . . . . 116 MET HE . 15249 1 1383 . 1 1 116 116 MET HE2 H 1 1.998 0.020 . 1 . . . . 116 MET HE . 15249 1 1384 . 1 1 116 116 MET HE3 H 1 1.998 0.020 . 1 . . . . 116 MET HE . 15249 1 1385 . 1 1 116 116 MET HG2 H 1 2.733 0.020 . 2 . . . . 116 MET HG2 . 15249 1 1386 . 1 1 116 116 MET HG3 H 1 2.481 0.020 . 2 . . . . 116 MET HG3 . 15249 1 1387 . 1 1 116 116 MET C C 13 178.768 0.300 . 1 . . . . 116 MET C . 15249 1 1388 . 1 1 116 116 MET CA C 13 58.996 0.300 . 1 . . . . 116 MET CA . 15249 1 1389 . 1 1 116 116 MET CB C 13 31.494 0.300 . 1 . . . . 116 MET CB . 15249 1 1390 . 1 1 116 116 MET CE C 13 16.972 0.300 . 1 . . . . 116 MET CE . 15249 1 1391 . 1 1 116 116 MET CG C 13 31.831 0.300 . 1 . . . . 116 MET CG . 15249 1 1392 . 1 1 116 116 MET N N 15 120.334 0.300 . 1 . . . . 116 MET N . 15249 1 1393 . 1 1 117 117 LEU H H 1 8.306 0.020 . 1 . . . . 117 LEU H . 15249 1 1394 . 1 1 117 117 LEU HA H 1 3.818 0.020 . 1 . . . . 117 LEU HA . 15249 1 1395 . 1 1 117 117 LEU HB2 H 1 2.076 0.020 . 2 . . . . 117 LEU HB2 . 15249 1 1396 . 1 1 117 117 LEU HB3 H 1 1.497 0.020 . 2 . . . . 117 LEU HB3 . 15249 1 1397 . 1 1 117 117 LEU HD11 H 1 0.970 0.020 . 1 . . . . 117 LEU HD1 . 15249 1 1398 . 1 1 117 117 LEU HD12 H 1 0.970 0.020 . 1 . . . . 117 LEU HD1 . 15249 1 1399 . 1 1 117 117 LEU HD13 H 1 0.970 0.020 . 1 . . . . 117 LEU HD1 . 15249 1 1400 . 1 1 117 117 LEU HD21 H 1 0.881 0.020 . 1 . . . . 117 LEU HD2 . 15249 1 1401 . 1 1 117 117 LEU HD22 H 1 0.881 0.020 . 1 . . . . 117 LEU HD2 . 15249 1 1402 . 1 1 117 117 LEU HD23 H 1 0.881 0.020 . 1 . . . . 117 LEU HD2 . 15249 1 1403 . 1 1 117 117 LEU C C 13 177.832 0.300 . 1 . . . . 117 LEU C . 15249 1 1404 . 1 1 117 117 LEU CA C 13 58.418 0.300 . 1 . . . . 117 LEU CA . 15249 1 1405 . 1 1 117 117 LEU CB C 13 41.322 0.300 . 1 . . . . 117 LEU CB . 15249 1 1406 . 1 1 117 117 LEU CD1 C 13 26.541 0.300 . 1 . . . . 117 LEU CD1 . 15249 1 1407 . 1 1 117 117 LEU CD2 C 13 23.943 0.300 . 1 . . . . 117 LEU CD2 . 15249 1 1408 . 1 1 117 117 LEU N N 15 123.396 0.300 . 1 . . . . 117 LEU N . 15249 1 1409 . 1 1 118 118 CYS H H 1 7.962 0.020 . 1 . . . . 118 CYS H . 15249 1 1410 . 1 1 118 118 CYS HA H 1 3.733 0.020 . 1 . . . . 118 CYS HA . 15249 1 1411 . 1 1 118 118 CYS HB2 H 1 2.704 0.020 . 2 . . . . 118 CYS HB2 . 15249 1 1412 . 1 1 118 118 CYS HB3 H 1 2.462 0.020 . 2 . . . . 118 CYS HB3 . 15249 1 1413 . 1 1 118 118 CYS C C 13 176.356 0.300 . 1 . . . . 118 CYS C . 15249 1 1414 . 1 1 118 118 CYS CA C 13 63.931 0.300 . 1 . . . . 118 CYS CA . 15249 1 1415 . 1 1 118 118 CYS CB C 13 26.886 0.300 . 1 . . . . 118 CYS CB . 15249 1 1416 . 1 1 118 118 CYS N N 15 114.658 0.300 . 1 . . . . 118 CYS N . 15249 1 1417 . 1 1 119 119 SER H H 1 7.990 0.020 . 1 . . . . 119 SER H . 15249 1 1418 . 1 1 119 119 SER HA H 1 4.112 0.020 . 1 . . . . 119 SER HA . 15249 1 1419 . 1 1 119 119 SER HB2 H 1 3.916 0.020 . 2 . . . . 119 SER HB2 . 15249 1 1420 . 1 1 119 119 SER HB3 H 1 3.878 0.020 . 2 . . . . 119 SER HB3 . 15249 1 1421 . 1 1 119 119 SER C C 13 175.775 0.300 . 1 . . . . 119 SER C . 15249 1 1422 . 1 1 119 119 SER CA C 13 60.881 0.300 . 1 . . . . 119 SER CA . 15249 1 1423 . 1 1 119 119 SER CB C 13 63.075 0.300 . 1 . . . . 119 SER CB . 15249 1 1424 . 1 1 119 119 SER N N 15 113.584 0.300 . 1 . . . . 119 SER N . 15249 1 1425 . 1 1 120 120 SER H H 1 7.898 0.020 . 1 . . . . 120 SER H . 15249 1 1426 . 1 1 120 120 SER HA H 1 4.329 0.020 . 1 . . . . 120 SER HA . 15249 1 1427 . 1 1 120 120 SER HB2 H 1 3.888 0.020 . 2 . . . . 120 SER HB2 . 15249 1 1428 . 1 1 120 120 SER HB3 H 1 3.863 0.020 . 2 . . . . 120 SER HB3 . 15249 1 1429 . 1 1 120 120 SER CA C 13 60.560 0.300 . 1 . . . . 120 SER CA . 15249 1 1430 . 1 1 120 120 SER CB C 13 64.127 0.300 . 1 . . . . 120 SER CB . 15249 1 1431 . 1 1 120 120 SER N N 15 115.447 0.300 . 1 . . . . 120 SER N . 15249 1 1432 . 1 1 121 121 SER H H 1 7.537 0.020 . 1 . . . . 121 SER H . 15249 1 1433 . 1 1 121 121 SER HA H 1 4.953 0.020 . 1 . . . . 121 SER HA . 15249 1 1434 . 1 1 121 121 SER HB2 H 1 3.723 0.020 . 2 . . . . 121 SER HB2 . 15249 1 1435 . 1 1 121 121 SER HB3 H 1 3.639 0.020 . 2 . . . . 121 SER HB3 . 15249 1 1436 . 1 1 121 121 SER CA C 13 54.597 0.300 . 1 . . . . 121 SER CA . 15249 1 1437 . 1 1 121 121 SER CB C 13 62.812 0.300 . 1 . . . . 121 SER CB . 15249 1 1438 . 1 1 121 121 SER N N 15 114.338 0.300 . 1 . . . . 121 SER N . 15249 1 1439 . 1 1 122 122 PRO HA H 1 4.335 0.020 . 1 . . . . 122 PRO HA . 15249 1 1440 . 1 1 122 122 PRO HB2 H 1 2.395 0.020 . 2 . . . . 122 PRO HB2 . 15249 1 1441 . 1 1 122 122 PRO HB3 H 1 1.933 0.020 . 2 . . . . 122 PRO HB3 . 15249 1 1442 . 1 1 122 122 PRO HD2 H 1 3.898 0.020 . 2 . . . . 122 PRO HD2 . 15249 1 1443 . 1 1 122 122 PRO HD3 H 1 3.484 0.020 . 2 . . . . 122 PRO HD3 . 15249 1 1444 . 1 1 122 122 PRO HG2 H 1 2.129 0.020 . 2 . . . . 122 PRO HG2 . 15249 1 1445 . 1 1 122 122 PRO HG3 H 1 2.004 0.020 . 2 . . . . 122 PRO HG3 . 15249 1 1446 . 1 1 122 122 PRO C C 13 178.995 0.300 . 1 . . . . 122 PRO C . 15249 1 1447 . 1 1 122 122 PRO CA C 13 64.773 0.300 . 1 . . . . 122 PRO CA . 15249 1 1448 . 1 1 122 122 PRO CB C 13 31.908 0.300 . 1 . . . . 122 PRO CB . 15249 1 1449 . 1 1 122 122 PRO CD C 13 50.250 0.300 . 1 . . . . 122 PRO CD . 15249 1 1450 . 1 1 122 122 PRO CG C 13 27.603 0.300 . 1 . . . . 122 PRO CG . 15249 1 1451 . 1 1 123 123 GLU H H 1 8.730 0.020 . 1 . . . . 123 GLU H . 15249 1 1452 . 1 1 123 123 GLU HA H 1 4.013 0.020 . 1 . . . . 123 GLU HA . 15249 1 1453 . 1 1 123 123 GLU HB2 H 1 1.965 0.020 . 2 . . . . 123 GLU HB2 . 15249 1 1454 . 1 1 123 123 GLU HB3 H 1 1.813 0.020 . 2 . . . . 123 GLU HB3 . 15249 1 1455 . 1 1 123 123 GLU HG2 H 1 2.284 0.020 . 2 . . . . 123 GLU HG2 . 15249 1 1456 . 1 1 123 123 GLU HG3 H 1 2.188 0.020 . 2 . . . . 123 GLU HG3 . 15249 1 1457 . 1 1 123 123 GLU C C 13 179.193 0.300 . 1 . . . . 123 GLU C . 15249 1 1458 . 1 1 123 123 GLU CA C 13 59.830 0.300 . 1 . . . . 123 GLU CA . 15249 1 1459 . 1 1 123 123 GLU CB C 13 29.273 0.300 . 1 . . . . 123 GLU CB . 15249 1 1460 . 1 1 123 123 GLU CG C 13 36.661 0.300 . 1 . . . . 123 GLU CG . 15249 1 1461 . 1 1 123 123 GLU N N 15 117.411 0.300 . 1 . . . . 123 GLU N . 15249 1 1462 . 1 1 124 124 ILE H H 1 7.617 0.020 . 1 . . . . 124 ILE H . 15249 1 1463 . 1 1 124 124 ILE HA H 1 3.499 0.020 . 1 . . . . 124 ILE HA . 15249 1 1464 . 1 1 124 124 ILE HB H 1 1.724 0.020 . 1 . . . . 124 ILE HB . 15249 1 1465 . 1 1 124 124 ILE HD11 H 1 0.666 0.020 . 1 . . . . 124 ILE HD1 . 15249 1 1466 . 1 1 124 124 ILE HD12 H 1 0.666 0.020 . 1 . . . . 124 ILE HD1 . 15249 1 1467 . 1 1 124 124 ILE HD13 H 1 0.666 0.020 . 1 . . . . 124 ILE HD1 . 15249 1 1468 . 1 1 124 124 ILE HG12 H 1 1.314 0.020 . 2 . . . . 124 ILE HG12 . 15249 1 1469 . 1 1 124 124 ILE HG13 H 1 0.860 0.020 . 2 . . . . 124 ILE HG13 . 15249 1 1470 . 1 1 124 124 ILE HG21 H 1 0.462 0.020 . 1 . . . . 124 ILE HG2 . 15249 1 1471 . 1 1 124 124 ILE HG22 H 1 0.462 0.020 . 1 . . . . 124 ILE HG2 . 15249 1 1472 . 1 1 124 124 ILE HG23 H 1 0.462 0.020 . 1 . . . . 124 ILE HG2 . 15249 1 1473 . 1 1 124 124 ILE C C 13 177.562 0.300 . 1 . . . . 124 ILE C . 15249 1 1474 . 1 1 124 124 ILE CA C 13 63.984 0.300 . 1 . . . . 124 ILE CA . 15249 1 1475 . 1 1 124 124 ILE CB C 13 36.714 0.300 . 1 . . . . 124 ILE CB . 15249 1 1476 . 1 1 124 124 ILE CD1 C 13 12.858 0.300 . 1 . . . . 124 ILE CD1 . 15249 1 1477 . 1 1 124 124 ILE CG1 C 13 29.953 0.300 . 1 . . . . 124 ILE CG1 . 15249 1 1478 . 1 1 124 124 ILE CG2 C 13 18.247 0.300 . 1 . . . . 124 ILE CG2 . 15249 1 1479 . 1 1 124 124 ILE N N 15 121.060 0.300 . 1 . . . . 124 ILE N . 15249 1 1480 . 1 1 125 125 ALA H H 1 8.164 0.020 . 1 . . . . 125 ALA H . 15249 1 1481 . 1 1 125 125 ALA HA H 1 4.001 0.020 . 1 . . . . 125 ALA HA . 15249 1 1482 . 1 1 125 125 ALA HB1 H 1 1.538 0.020 . 1 . . . . 125 ALA HB . 15249 1 1483 . 1 1 125 125 ALA HB2 H 1 1.538 0.020 . 1 . . . . 125 ALA HB . 15249 1 1484 . 1 1 125 125 ALA HB3 H 1 1.538 0.020 . 1 . . . . 125 ALA HB . 15249 1 1485 . 1 1 125 125 ALA C C 13 180.058 0.300 . 1 . . . . 125 ALA C . 15249 1 1486 . 1 1 125 125 ALA CA C 13 55.969 0.300 . 1 . . . . 125 ALA CA . 15249 1 1487 . 1 1 125 125 ALA CB C 13 18.286 0.300 . 1 . . . . 125 ALA CB . 15249 1 1488 . 1 1 125 125 ALA N N 15 122.501 0.300 . 1 . . . . 125 ALA N . 15249 1 1489 . 1 1 126 126 GLU H H 1 7.825 0.020 . 1 . . . . 126 GLU H . 15249 1 1490 . 1 1 126 126 GLU HA H 1 4.199 0.020 . 1 . . . . 126 GLU HA . 15249 1 1491 . 1 1 126 126 GLU HB2 H 1 2.098 0.020 . 2 . . . . 126 GLU HB2 . 15249 1 1492 . 1 1 126 126 GLU HB3 H 1 2.026 0.020 . 2 . . . . 126 GLU HB3 . 15249 1 1493 . 1 1 126 126 GLU HG2 H 1 2.343 0.020 . 2 . . . . 126 GLU HG2 . 15249 1 1494 . 1 1 126 126 GLU HG3 H 1 2.282 0.020 . 2 . . . . 126 GLU HG3 . 15249 1 1495 . 1 1 126 126 GLU C C 13 178.314 0.300 . 1 . . . . 126 GLU C . 15249 1 1496 . 1 1 126 126 GLU CA C 13 58.674 0.300 . 1 . . . . 126 GLU CA . 15249 1 1497 . 1 1 126 126 GLU CB C 13 29.336 0.300 . 1 . . . . 126 GLU CB . 15249 1 1498 . 1 1 126 126 GLU CG C 13 35.671 0.300 . 1 . . . . 126 GLU CG . 15249 1 1499 . 1 1 126 126 GLU N N 15 116.092 0.300 . 1 . . . . 126 GLU N . 15249 1 1500 . 1 1 127 127 ILE H H 1 7.398 0.020 . 1 . . . . 127 ILE H . 15249 1 1501 . 1 1 127 127 ILE HA H 1 3.748 0.020 . 1 . . . . 127 ILE HA . 15249 1 1502 . 1 1 127 127 ILE HB H 1 1.740 0.020 . 1 . . . . 127 ILE HB . 15249 1 1503 . 1 1 127 127 ILE HD11 H 1 0.745 0.020 . 1 . . . . 127 ILE HD1 . 15249 1 1504 . 1 1 127 127 ILE HD12 H 1 0.745 0.020 . 1 . . . . 127 ILE HD1 . 15249 1 1505 . 1 1 127 127 ILE HD13 H 1 0.745 0.020 . 1 . . . . 127 ILE HD1 . 15249 1 1506 . 1 1 127 127 ILE HG12 H 1 1.084 0.020 . 2 . . . . 127 ILE HG12 . 15249 1 1507 . 1 1 127 127 ILE HG13 H 1 1.063 0.020 . 2 . . . . 127 ILE HG13 . 15249 1 1508 . 1 1 127 127 ILE HG21 H 1 0.821 0.020 . 1 . . . . 127 ILE HG2 . 15249 1 1509 . 1 1 127 127 ILE HG22 H 1 0.821 0.020 . 1 . . . . 127 ILE HG2 . 15249 1 1510 . 1 1 127 127 ILE HG23 H 1 0.821 0.020 . 1 . . . . 127 ILE HG2 . 15249 1 1511 . 1 1 127 127 ILE C C 13 180.399 0.300 . 1 . . . . 127 ILE C . 15249 1 1512 . 1 1 127 127 ILE CA C 13 65.567 0.300 . 1 . . . . 127 ILE CA . 15249 1 1513 . 1 1 127 127 ILE CB C 13 37.737 0.300 . 1 . . . . 127 ILE CB . 15249 1 1514 . 1 1 127 127 ILE CD1 C 13 13.674 0.300 . 1 . . . . 127 ILE CD1 . 15249 1 1515 . 1 1 127 127 ILE CG1 C 13 29.147 0.300 . 1 . . . . 127 ILE CG1 . 15249 1 1516 . 1 1 127 127 ILE CG2 C 13 16.555 0.300 . 1 . . . . 127 ILE CG2 . 15249 1 1517 . 1 1 127 127 ILE N N 15 121.271 0.300 . 1 . . . . 127 ILE N . 15249 1 1518 . 1 1 128 128 PHE H H 1 8.115 0.020 . 1 . . . . 128 PHE H . 15249 1 1519 . 1 1 128 128 PHE HA H 1 4.397 0.020 . 1 . . . . 128 PHE HA . 15249 1 1520 . 1 1 128 128 PHE HB2 H 1 3.174 0.020 . 2 . . . . 128 PHE HB2 . 15249 1 1521 . 1 1 128 128 PHE HB3 H 1 2.962 0.020 . 2 . . . . 128 PHE HB3 . 15249 1 1522 . 1 1 128 128 PHE HD1 H 1 6.659 0.020 . 1 . . . . 128 PHE HD1 . 15249 1 1523 . 1 1 128 128 PHE HD2 H 1 6.659 0.020 . 1 . . . . 128 PHE HD2 . 15249 1 1524 . 1 1 128 128 PHE HE1 H 1 6.314 0.020 . 1 . . . . 128 PHE HE1 . 15249 1 1525 . 1 1 128 128 PHE HE2 H 1 6.314 0.020 . 1 . . . . 128 PHE HE2 . 15249 1 1526 . 1 1 128 128 PHE C C 13 177.335 0.300 . 1 . . . . 128 PHE C . 15249 1 1527 . 1 1 128 128 PHE CA C 13 60.507 0.300 . 1 . . . . 128 PHE CA . 15249 1 1528 . 1 1 128 128 PHE CB C 13 38.131 0.300 . 1 . . . . 128 PHE CB . 15249 1 1529 . 1 1 128 128 PHE CD1 C 13 130.729 0.300 . 1 . . . . 128 PHE CD1 . 15249 1 1530 . 1 1 128 128 PHE CD2 C 13 130.729 0.300 . 1 . . . . 128 PHE CD2 . 15249 1 1531 . 1 1 128 128 PHE CE1 C 13 130.734 0.300 . 1 . . . . 128 PHE CE1 . 15249 1 1532 . 1 1 128 128 PHE CE2 C 13 130.734 0.300 . 1 . . . . 128 PHE CE2 . 15249 1 1533 . 1 1 128 128 PHE N N 15 120.453 0.300 . 1 . . . . 128 PHE N . 15249 1 1534 . 1 1 129 129 ARG H H 1 8.450 0.020 . 1 . . . . 129 ARG H . 15249 1 1535 . 1 1 129 129 ARG HA H 1 3.987 0.020 . 1 . . . . 129 ARG HA . 15249 1 1536 . 1 1 129 129 ARG HB2 H 1 1.966 0.020 . 2 . . . . 129 ARG HB2 . 15249 1 1537 . 1 1 129 129 ARG HB3 H 1 1.925 0.020 . 2 . . . . 129 ARG HB3 . 15249 1 1538 . 1 1 129 129 ARG HD2 H 1 3.193 0.020 . 1 . . . . 129 ARG HD2 . 15249 1 1539 . 1 1 129 129 ARG HD3 H 1 3.193 0.020 . 1 . . . . 129 ARG HD3 . 15249 1 1540 . 1 1 129 129 ARG HG2 H 1 1.519 0.020 . 1 . . . . 129 ARG HG2 . 15249 1 1541 . 1 1 129 129 ARG HG3 H 1 1.519 0.020 . 1 . . . . 129 ARG HG3 . 15249 1 1542 . 1 1 129 129 ARG C C 13 179.207 0.300 . 1 . . . . 129 ARG C . 15249 1 1543 . 1 1 129 129 ARG CA C 13 60.390 0.300 . 1 . . . . 129 ARG CA . 15249 1 1544 . 1 1 129 129 ARG CB C 13 30.661 0.300 . 1 . . . . 129 ARG CB . 15249 1 1545 . 1 1 129 129 ARG CD C 13 43.221 0.300 . 1 . . . . 129 ARG CD . 15249 1 1546 . 1 1 129 129 ARG CG C 13 28.245 0.300 . 1 . . . . 129 ARG CG . 15249 1 1547 . 1 1 129 129 ARG N N 15 118.735 0.300 . 1 . . . . 129 ARG N . 15249 1 1548 . 1 1 130 130 LYS H H 1 8.923 0.020 . 1 . . . . 130 LYS H . 15249 1 1549 . 1 1 130 130 LYS HA H 1 4.008 0.020 . 1 . . . . 130 LYS HA . 15249 1 1550 . 1 1 130 130 LYS HB2 H 1 2.005 0.020 . 2 . . . . 130 LYS HB2 . 15249 1 1551 . 1 1 130 130 LYS HB3 H 1 1.902 0.020 . 2 . . . . 130 LYS HB3 . 15249 1 1552 . 1 1 130 130 LYS HD2 H 1 1.689 0.020 . 2 . . . . 130 LYS HD2 . 15249 1 1553 . 1 1 130 130 LYS HD3 H 1 1.652 0.020 . 2 . . . . 130 LYS HD3 . 15249 1 1554 . 1 1 130 130 LYS HE2 H 1 2.965 0.020 . 2 . . . . 130 LYS HE2 . 15249 1 1555 . 1 1 130 130 LYS HE3 H 1 2.900 0.020 . 2 . . . . 130 LYS HE3 . 15249 1 1556 . 1 1 130 130 LYS HG2 H 1 1.611 0.020 . 2 . . . . 130 LYS HG2 . 15249 1 1557 . 1 1 130 130 LYS HG3 H 1 1.453 0.020 . 2 . . . . 130 LYS HG3 . 15249 1 1558 . 1 1 130 130 LYS C C 13 179.496 0.300 . 1 . . . . 130 LYS C . 15249 1 1559 . 1 1 130 130 LYS CA C 13 59.787 0.300 . 1 . . . . 130 LYS CA . 15249 1 1560 . 1 1 130 130 LYS CB C 13 32.389 0.300 . 1 . . . . 130 LYS CB . 15249 1 1561 . 1 1 130 130 LYS CD C 13 29.461 0.300 . 1 . . . . 130 LYS CD . 15249 1 1562 . 1 1 130 130 LYS CE C 13 42.064 0.300 . 1 . . . . 130 LYS CE . 15249 1 1563 . 1 1 130 130 LYS CG C 13 25.461 0.300 . 1 . . . . 130 LYS CG . 15249 1 1564 . 1 1 130 130 LYS N N 15 119.452 0.300 . 1 . . . . 130 LYS N . 15249 1 1565 . 1 1 131 131 THR H H 1 8.184 0.020 . 1 . . . . 131 THR H . 15249 1 1566 . 1 1 131 131 THR HA H 1 3.977 0.020 . 1 . . . . 131 THR HA . 15249 1 1567 . 1 1 131 131 THR HB H 1 4.448 0.020 . 1 . . . . 131 THR HB . 15249 1 1568 . 1 1 131 131 THR HG21 H 1 1.118 0.020 . 1 . . . . 131 THR HG2 . 15249 1 1569 . 1 1 131 131 THR HG22 H 1 1.118 0.020 . 1 . . . . 131 THR HG2 . 15249 1 1570 . 1 1 131 131 THR HG23 H 1 1.118 0.020 . 1 . . . . 131 THR HG2 . 15249 1 1571 . 1 1 131 131 THR C C 13 175.463 0.300 . 1 . . . . 131 THR C . 15249 1 1572 . 1 1 131 131 THR CA C 13 67.323 0.300 . 1 . . . . 131 THR CA . 15249 1 1573 . 1 1 131 131 THR CB C 13 68.722 0.300 . 1 . . . . 131 THR CB . 15249 1 1574 . 1 1 131 131 THR CG2 C 13 22.269 0.300 . 1 . . . . 131 THR CG2 . 15249 1 1575 . 1 1 131 131 THR N N 15 117.314 0.300 . 1 . . . . 131 THR N . 15249 1 1576 . 1 1 132 132 ALA H H 1 8.400 0.020 . 1 . . . . 132 ALA H . 15249 1 1577 . 1 1 132 132 ALA HA H 1 3.954 0.020 . 1 . . . . 132 ALA HA . 15249 1 1578 . 1 1 132 132 ALA HB1 H 1 1.534 0.020 . 1 . . . . 132 ALA HB . 15249 1 1579 . 1 1 132 132 ALA HB2 H 1 1.534 0.020 . 1 . . . . 132 ALA HB . 15249 1 1580 . 1 1 132 132 ALA HB3 H 1 1.534 0.020 . 1 . . . . 132 ALA HB . 15249 1 1581 . 1 1 132 132 ALA C C 13 179.605 0.300 . 1 . . . . 132 ALA C . 15249 1 1582 . 1 1 132 132 ALA CA C 13 55.518 0.300 . 1 . . . . 132 ALA CA . 15249 1 1583 . 1 1 132 132 ALA CB C 13 19.052 0.300 . 1 . . . . 132 ALA CB . 15249 1 1584 . 1 1 132 132 ALA N N 15 123.696 0.300 . 1 . . . . 132 ALA N . 15249 1 1585 . 1 1 133 133 LEU H H 1 7.736 0.020 . 1 . . . . 133 LEU H . 15249 1 1586 . 1 1 133 133 LEU HA H 1 4.025 0.020 . 1 . . . . 133 LEU HA . 15249 1 1587 . 1 1 133 133 LEU HB2 H 1 1.847 0.020 . 2 . . . . 133 LEU HB2 . 15249 1 1588 . 1 1 133 133 LEU HB3 H 1 1.657 0.020 . 2 . . . . 133 LEU HB3 . 15249 1 1589 . 1 1 133 133 LEU HD11 H 1 0.902 0.020 . 1 . . . . 133 LEU HD1 . 15249 1 1590 . 1 1 133 133 LEU HD12 H 1 0.902 0.020 . 1 . . . . 133 LEU HD1 . 15249 1 1591 . 1 1 133 133 LEU HD13 H 1 0.902 0.020 . 1 . . . . 133 LEU HD1 . 15249 1 1592 . 1 1 133 133 LEU HD21 H 1 0.874 0.020 . 1 . . . . 133 LEU HD2 . 15249 1 1593 . 1 1 133 133 LEU HD22 H 1 0.874 0.020 . 1 . . . . 133 LEU HD2 . 15249 1 1594 . 1 1 133 133 LEU HD23 H 1 0.874 0.020 . 1 . . . . 133 LEU HD2 . 15249 1 1595 . 1 1 133 133 LEU HG H 1 1.771 0.020 . 1 . . . . 133 LEU HG . 15249 1 1596 . 1 1 133 133 LEU C C 13 180.307 0.300 . 1 . . . . 133 LEU C . 15249 1 1597 . 1 1 133 133 LEU CA C 13 57.982 0.300 . 1 . . . . 133 LEU CA . 15249 1 1598 . 1 1 133 133 LEU CB C 13 41.986 0.300 . 1 . . . . 133 LEU CB . 15249 1 1599 . 1 1 133 133 LEU CD1 C 13 24.815 0.300 . 1 . . . . 133 LEU CD1 . 15249 1 1600 . 1 1 133 133 LEU CD2 C 13 23.918 0.300 . 1 . . . . 133 LEU CD2 . 15249 1 1601 . 1 1 133 133 LEU CG C 13 27.025 0.300 . 1 . . . . 133 LEU CG . 15249 1 1602 . 1 1 133 133 LEU N N 15 117.241 0.300 . 1 . . . . 133 LEU N . 15249 1 1603 . 1 1 134 134 GLU H H 1 8.075 0.020 . 1 . . . . 134 GLU H . 15249 1 1604 . 1 1 134 134 GLU HA H 1 4.018 0.020 . 1 . . . . 134 GLU HA . 15249 1 1605 . 1 1 134 134 GLU HB2 H 1 2.266 0.020 . 2 . . . . 134 GLU HB2 . 15249 1 1606 . 1 1 134 134 GLU HB3 H 1 2.225 0.020 . 2 . . . . 134 GLU HB3 . 15249 1 1607 . 1 1 134 134 GLU HG2 H 1 2.435 0.020 . 2 . . . . 134 GLU HG2 . 15249 1 1608 . 1 1 134 134 GLU HG3 H 1 2.089 0.020 . 2 . . . . 134 GLU HG3 . 15249 1 1609 . 1 1 134 134 GLU C C 13 179.675 0.300 . 1 . . . . 134 GLU C . 15249 1 1610 . 1 1 134 134 GLU CA C 13 59.057 0.300 . 1 . . . . 134 GLU CA . 15249 1 1611 . 1 1 134 134 GLU CB C 13 29.529 0.300 . 1 . . . . 134 GLU CB . 15249 1 1612 . 1 1 134 134 GLU CG C 13 36.394 0.300 . 1 . . . . 134 GLU CG . 15249 1 1613 . 1 1 134 134 GLU N N 15 120.948 0.300 . 1 . . . . 134 GLU N . 15249 1 1614 . 1 1 135 135 ARG H H 1 8.063 0.020 . 1 . . . . 135 ARG H . 15249 1 1615 . 1 1 135 135 ARG HA H 1 3.879 0.020 . 1 . . . . 135 ARG HA . 15249 1 1616 . 1 1 135 135 ARG HB2 H 1 1.536 0.020 . 1 . . . . 135 ARG HB2 . 15249 1 1617 . 1 1 135 135 ARG HB3 H 1 1.536 0.020 . 1 . . . . 135 ARG HB3 . 15249 1 1618 . 1 1 135 135 ARG C C 13 177.321 0.300 . 1 . . . . 135 ARG C . 15249 1 1619 . 1 1 135 135 ARG CA C 13 58.890 0.300 . 1 . . . . 135 ARG CA . 15249 1 1620 . 1 1 135 135 ARG CB C 13 31.305 0.300 . 1 . . . . 135 ARG CB . 15249 1 1621 . 1 1 135 135 ARG N N 15 119.435 0.300 . 1 . . . . 135 ARG N . 15249 1 1622 . 1 1 136 136 ARG H H 1 7.842 0.020 . 1 . . . . 136 ARG H . 15249 1 1623 . 1 1 136 136 ARG HA H 1 4.103 0.020 . 1 . . . . 136 ARG HA . 15249 1 1624 . 1 1 136 136 ARG HB2 H 1 1.953 0.020 . 2 . . . . 136 ARG HB2 . 15249 1 1625 . 1 1 136 136 ARG HB3 H 1 1.919 0.020 . 2 . . . . 136 ARG HB3 . 15249 1 1626 . 1 1 136 136 ARG HD2 H 1 3.217 0.020 . 2 . . . . 136 ARG HD2 . 15249 1 1627 . 1 1 136 136 ARG HD3 H 1 3.169 0.020 . 2 . . . . 136 ARG HD3 . 15249 1 1628 . 1 1 136 136 ARG HG2 H 1 1.811 0.020 . 2 . . . . 136 ARG HG2 . 15249 1 1629 . 1 1 136 136 ARG HG3 H 1 1.524 0.020 . 2 . . . . 136 ARG HG3 . 15249 1 1630 . 1 1 136 136 ARG C C 13 178.030 0.300 . 1 . . . . 136 ARG C . 15249 1 1631 . 1 1 136 136 ARG CA C 13 58.050 0.300 . 1 . . . . 136 ARG CA . 15249 1 1632 . 1 1 136 136 ARG CB C 13 30.631 0.300 . 1 . . . . 136 ARG CB . 15249 1 1633 . 1 1 136 136 ARG CD C 13 43.310 0.300 . 1 . . . . 136 ARG CD . 15249 1 1634 . 1 1 136 136 ARG CG C 13 28.302 0.300 . 1 . . . . 136 ARG CG . 15249 1 1635 . 1 1 136 136 ARG N N 15 119.502 0.300 . 1 . . . . 136 ARG N . 15249 1 1636 . 1 1 137 137 GLY H H 1 7.925 0.020 . 1 . . . . 137 GLY H . 15249 1 1637 . 1 1 137 137 GLY HA2 H 1 3.990 0.020 . 2 . . . . 137 GLY HA2 . 15249 1 1638 . 1 1 137 137 GLY HA3 H 1 3.962 0.020 . 2 . . . . 137 GLY HA3 . 15249 1 1639 . 1 1 137 137 GLY C C 13 174.328 0.300 . 1 . . . . 137 GLY C . 15249 1 1640 . 1 1 137 137 GLY CA C 13 45.690 0.300 . 1 . . . . 137 GLY CA . 15249 1 1641 . 1 1 137 137 GLY N N 15 106.919 0.300 . 1 . . . . 137 GLY N . 15249 1 1642 . 1 1 138 138 ALA H H 1 8.008 0.020 . 1 . . . . 138 ALA H . 15249 1 1643 . 1 1 138 138 ALA HA H 1 4.338 0.020 . 1 . . . . 138 ALA HA . 15249 1 1644 . 1 1 138 138 ALA HB1 H 1 1.449 0.020 . 1 . . . . 138 ALA HB . 15249 1 1645 . 1 1 138 138 ALA HB2 H 1 1.449 0.020 . 1 . . . . 138 ALA HB . 15249 1 1646 . 1 1 138 138 ALA HB3 H 1 1.449 0.020 . 1 . . . . 138 ALA HB . 15249 1 1647 . 1 1 138 138 ALA C C 13 177.704 0.300 . 1 . . . . 138 ALA C . 15249 1 1648 . 1 1 138 138 ALA CA C 13 52.660 0.300 . 1 . . . . 138 ALA CA . 15249 1 1649 . 1 1 138 138 ALA CB C 13 19.307 0.300 . 1 . . . . 138 ALA CB . 15249 1 1650 . 1 1 138 138 ALA N N 15 123.483 0.300 . 1 . . . . 138 ALA N . 15249 1 1651 . 1 1 139 139 ALA H H 1 8.093 0.020 . 1 . . . . 139 ALA H . 15249 1 1652 . 1 1 139 139 ALA HA H 1 4.336 0.020 . 1 . . . . 139 ALA HA . 15249 1 1653 . 1 1 139 139 ALA HB1 H 1 1.441 0.020 . 1 . . . . 139 ALA HB . 15249 1 1654 . 1 1 139 139 ALA HB2 H 1 1.441 0.020 . 1 . . . . 139 ALA HB . 15249 1 1655 . 1 1 139 139 ALA HB3 H 1 1.441 0.020 . 1 . . . . 139 ALA HB . 15249 1 1656 . 1 1 139 139 ALA C C 13 177.560 0.300 . 1 . . . . 139 ALA C . 15249 1 1657 . 1 1 139 139 ALA CA C 13 52.526 0.300 . 1 . . . . 139 ALA CA . 15249 1 1658 . 1 1 139 139 ALA CB C 13 18.987 0.300 . 1 . . . . 139 ALA CB . 15249 1 1659 . 1 1 139 139 ALA N N 15 122.386 0.300 . 1 . . . . 139 ALA N . 15249 1 1660 . 1 1 140 140 ALA H H 1 8.121 0.020 . 1 . . . . 140 ALA H . 15249 1 1661 . 1 1 140 140 ALA HA H 1 4.337 0.020 . 1 . . . . 140 ALA HA . 15249 1 1662 . 1 1 140 140 ALA HB1 H 1 1.422 0.020 . 1 . . . . 140 ALA HB . 15249 1 1663 . 1 1 140 140 ALA HB2 H 1 1.422 0.020 . 1 . . . . 140 ALA HB . 15249 1 1664 . 1 1 140 140 ALA HB3 H 1 1.422 0.020 . 1 . . . . 140 ALA HB . 15249 1 1665 . 1 1 140 140 ALA C C 13 177.661 0.300 . 1 . . . . 140 ALA C . 15249 1 1666 . 1 1 140 140 ALA CA C 13 52.459 0.300 . 1 . . . . 140 ALA CA . 15249 1 1667 . 1 1 140 140 ALA CB C 13 19.406 0.300 . 1 . . . . 140 ALA CB . 15249 1 1668 . 1 1 140 140 ALA N N 15 122.729 0.300 . 1 . . . . 140 ALA N . 15249 1 1669 . 1 1 141 141 SER H H 1 8.166 0.020 . 1 . . . . 141 SER H . 15249 1 1670 . 1 1 141 141 SER HA H 1 4.422 0.020 . 1 . . . . 141 SER HA . 15249 1 1671 . 1 1 141 141 SER HB2 H 1 3.874 0.020 . 2 . . . . 141 SER HB2 . 15249 1 1672 . 1 1 141 141 SER HB3 H 1 3.841 0.020 . 2 . . . . 141 SER HB3 . 15249 1 1673 . 1 1 141 141 SER C C 13 173.236 0.300 . 1 . . . . 141 SER C . 15249 1 1674 . 1 1 141 141 SER CA C 13 58.232 0.300 . 1 . . . . 141 SER CA . 15249 1 1675 . 1 1 141 141 SER CB C 13 64.070 0.300 . 1 . . . . 141 SER CB . 15249 1 1676 . 1 1 141 141 SER N N 15 115.259 0.300 . 1 . . . . 141 SER N . 15249 1 1677 . 1 1 142 142 ALA H H 1 7.940 0.020 . 1 . . . . 142 ALA H . 15249 1 1678 . 1 1 142 142 ALA HA H 1 4.126 0.020 . 1 . . . . 142 ALA HA . 15249 1 1679 . 1 1 142 142 ALA HB1 H 1 1.327 0.020 . 1 . . . . 142 ALA HB . 15249 1 1680 . 1 1 142 142 ALA HB2 H 1 1.327 0.020 . 1 . . . . 142 ALA HB . 15249 1 1681 . 1 1 142 142 ALA HB3 H 1 1.327 0.020 . 1 . . . . 142 ALA HB . 15249 1 1682 . 1 1 142 142 ALA CA C 13 53.943 0.300 . 1 . . . . 142 ALA CA . 15249 1 1683 . 1 1 142 142 ALA CB C 13 20.235 0.300 . 1 . . . . 142 ALA CB . 15249 1 1684 . 1 1 142 142 ALA N N 15 131.436 0.300 . 1 . . . . 142 ALA N . 15249 1 stop_ save_